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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:17699 - 16-hydroxytabersonine
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ChEBI Ontology
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ChEBI Name
16-hydroxytabersonine
ChEBI ID
CHEBI:17699
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:767, CHEBI:11330
Supplier Information
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Formula
C21H24N2O3
Net Charge
0
Average Mass
352.42694
Monoisotopic Mass
352.17869
InChI
InChI=1S/C21H24N2O3/c1-
3-
20-
7-
4-
9-
23-
10-
8-
21(19(20)
23)
15-
6-
5-
13(24)
11-
16(15)
22-
17(21)
14(12-
20)
18(25)
26-
2/h4-
7,11,19,22,24H,3,8-
10,12H2,1-
2H3/t19-
,20-
,21-
/m0/s1
InChIKey
FXUFRJQCBVSCRZ-ACRUOGEOSA-N
SMILES
[H][C@@]12N3CC[C@]11C(Nc4cc(O)ccc14)=C(C[C@]2(CC)C=CC3)C(=O)OC
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via
alkaloid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
16-hydroxytabersonine (
CHEBI:17699
)
has functional parent
tabersonine (
CHEBI:16776
)
16-hydroxytabersonine (
CHEBI:17699
)
is a
methyl ester (
CHEBI:25248
)
16-hydroxytabersonine (
CHEBI:17699
)
is a
monoterpenoid indole alkaloid (
CHEBI:65323
)
16-hydroxytabersonine (
CHEBI:17699
)
is a
organic heteropentacyclic compound (
CHEBI:38164
)
16-hydroxytabersonine (
CHEBI:17699
)
is conjugate base of
16-hydroxytabersoninium (
CHEBI:58239
)
Incoming
(3
R
)-1,2-didehydro-3-hydroxy-16-methoxy-2,3-dihydrotabersonine (
CHEBI:137485
)
has functional parent
16-hydroxytabersonine (
CHEBI:17699
)
16-hydroxytabersoninium (
CHEBI:58239
)
is conjugate acid of
16-hydroxytabersonine (
CHEBI:17699
)
IUPAC Name
methyl 16-hydroxy-2,3,6,7-tetradehydro-5α,12β,19α-aspidospermidine-3-carboxylate
Synonym
Source
16-Hydroxytabersonine
KEGG COMPOUND
Manual Xrefs
Databases
C00024480
KNApSAcK
C11643
KEGG COMPOUND
View more database links
Last Modified
21 June 2017