16-EPIVELLOSIMINE
BioCyc
61-54-1
CAS
C2H4O2
Acetic acid
60.02113
67-56-1
CAS
3702
TAXONOMY
887
PubChem-compound
3-OH-BENZYL-ALCOHOL
BioCyc
937
ChemSpider
C00033
KEGG Compound
19351-63-4
CAS
C00398
KEGG Compound
SMILES
NCCC1=CNC2=CC=CC=C12
23944-24-3
CAS
Water
64-19-7
CAS
SMILES
O
CHEBI:7621
ChEBI
Q8S8S9
UniProt
C17H24O10
(-)-Secologanin
388.13693
C21H22N2O3
Polyneuridine aldehyde
350.16306
C27H34N2O9
3-α(S)-Strictosidine
530.22644
C21H26N2O3
17-O-Acetylnorajmaline
354.19434
C19H20N2O
16-Epivellosimine
292.15756
CHEBI:16425
ChEBI
1118
ChemSpider
C19H24N2O2
Norajmaline
312.18378
CH4O
Methanol
32.026215
161336
PubChem-compound
Monoterpenoid Biosynthesis
SubPathway
1.0
HMDB0000303
HMDB
HMDB0001875
HMDB
20824-29-7
CAS
9510274
ChemSpider
16-Epivellosimine
4.3.3.2
false
4.3.3.2
(-)-Secologanin + Tryptamine → 3-α(S)-Strictosidine + Water
LEFT_TO_RIGHT
3.1.1.-
false
3.1.1.-
Polyneuridine aldehyde + Water → 16-Epivellosimine + Carbon dioxide + Methanol
LEFT_TO_RIGHT
Polyneuridine aldehyde
1150
PubChem-compound
3.1.1.-
false
3.1.1.-
17-O-Acetylnorajmaline + Water → Acetic acid + Norajmaline
LEFT_TO_RIGHT
Methylesterase 1
GDSL esterase/lipase At1g28600
Protein STRICTOSIDINE SYNTHASE-LIKE 12
(-)-Secologanin
SubPathwayOutput
SMILES
CC(O)=O
Arabidopsis thaliana
5459873
PubChem-compound
7732-18-5
CAS
Methanol
141670
ChemSpider
1.0
PW064429
PathWhiz
SMILES
CO
274
ChemSpider
SubPathwayInteraction57029
SubPathwayReaction
SubPathway57029Reaction
1.0
PW015068
PathWhiz
13116072
ChemSpider
Water
391636
ChemSpider
SMILES
[H][C@@]12NC3=C(C=CC=C3)[C@]11C[C@H]3C([C@H]1OC(C)=O)[C@H]1C[C@]2([H])N3[C@H](O)[C@H]1CC
SMILES
[H][C@]12[C@@H](O)[C@@]34C[C@@H]1N1[C@H](O)[C@@H](CC)[C@@H]2C[C@@]1([H])[C@]3([H])NC1=C4C=CC=C1
CHEBI:16765
ChEBI
SMILES
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](C=C)[C@@H]1CC=O
SMILES
[H][C@@]1(C[C@H]2[C@@H](C=C)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C2C(=O)OC)NCCC2=C1NC1=C2C=CC=C1
SMILES
[H]\C(C)=C1/CN2[C@@]3([H])C[C@]1([H])[C@@](C=O)(C(=O)OC)[C@]2([H])CC1=C3NC2=CC=CC=C12
SMILES
[H]C(=O)[C@]1([H])[C@@H]2CC3=C(NC4=C3C=CC=C4)[C@]3([H])C[C@H]1\C(CN23)=C/C
CHEBI:16526
ChEBI
Methylesterase 1
C11633
KEGG Compound
443415
PubChem-compound
88199-28-4
CAS
POLYNEURIDINE-ALDEHYDE
BioCyc
HMDB0000042
HMDB
17-O-ACETYLNORAJMALINE
BioCyc
CID 443416
PubChem-compound
962
PubChem-compound
CHEBI:15366
ChEBI
Norajmaline
ReactionCatalysis98518
ACTIVATION
ReactionCatalysis98519
ACTIVATION
ReactionCatalysis98517
ACTIVATION
C11809
KEGG Compound
CHEBI:17384
ChEBI
CO2
Carbon dioxide
43.98983
Protein STRICTOSIDINE SYNTHASE-LIKE 12
C03470
KEGG Compound
26333221
ChemSpider
1.0
1.0
STRICTOSIDINE
BioCyc
124-38-9
CAS
171
ChemSpider
HMDB0002111
HMDB
P94111
UniProt
SMP0063467
SMPDB
CHEBI:15377
ChEBI
CHEBI:17559
ChEBI
GDSL esterase/lipase At1g28600
C00001
KEGG Compound
CHEBI:17790
ChEBI
1.0
SMP0014204
SMPDB
141721
ChemSpider
C01852
KEGG Compound
CHEBI:18002
ChEBI
1.0
C11810
KEGG Compound
280
PubChem-compound
C10H12N2
Tryptamine
160.10005
Indole Alkaloid Biosynthesis
Tryptamine
C00011
KEGG Compound
SMILES
O=C=O
C00132
KEGG Compound
CPD-4241
BioCyc
Extracellular Space
1.0
Acetic acid
H2O
Water
18.010565
Plant-Type Vacuole
1.0
Q94F40
UniProt
TRYPTAMINE
BioCyc
1.0
CHEBI:16829
ChEBI
SECOLOGANIN-CPD
BioCyc
1.0
80202-83-1
CAS
11335328
PubChem-compound
Carbon dioxide
HMDB0001967
HMDB
17-O-Acetylnorajmaline
161276
PubChem-compound
Water
1.0
176
PubChem-compound
864
ChemSpider
GO:0000325
GENE ONTOLOGY
GO:0005615
GENE ONTOLOGY
ACET
BioCyc
3-α(S)-Strictosidine
(-)-Secologanin
2520-44-7
CAS
C11632
KEGG Compound
1.0