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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:66356 - Verrucoside
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ChEBI Ontology
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ChEBI Name
Verrucoside
ChEBI ID
CHEBI:66356
Definition
A natural product found in
Eunicella verrucosa
.
Stars
This entity has been manually annotated by a third party.
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Formula
C30H48O7
Net Charge
0
Average Mass
520.69790
Monoisotopic Mass
520.34000
InChI
InChI=1S/C30H48O7/c1-
7-
18-
8-
10-
20-
19-
9-
11-
22-
25(23(32)
13-
15-
30(22,5)
21(19)
12-
14-
29(18,20)
4)
37-
28-
27(36-
17(3)
31)
26(34-
6)
24(33)
16(2)
35-
28/h7,16,18-
28,32-
33H,1,8-
15H2,2-
6H3/t16-
,18-
,19-
,20-
,21-
,22+,23-
,24+,25+,26+,27-
,28-
,29+,30+/m0/s1
InChIKey
GKECJXKITDFENW-IPYAJTQTSA-N
SMILES
[H]
[C@]
1(O[C@@H]
(C)
[C@@H]
(O)
[C@@H]
(OC)
[C@@H]
1OC(C)
=O)
O[C@H]
1[C@@H]
(O)
CC[C@@]
2(C)
[C@]
1([H]
)
CC[C@@]
1([H]
)
[C@]
3([H]
)
CC[C@H]
(C=C)
[C@@]
3(C)
CC[C@]
21[H]
Metabolite of Species
Details
Eunicella verrucosa
(NCBI:txid396355)
See:
PubMed
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
saponin
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
Verrucoside (
CHEBI:66356
)
has role
metabolite (
CHEBI:25212
)
Verrucoside (
CHEBI:66356
)
is a
steroid saponin (
CHEBI:61655
)
Synonyms
Sources
4-beta-O-(2-O-Acetyl-alpha-L-digitalopyranosyl)-5beta-pregn-20-en-3-ol
ChEBI
alpha-
L-
Galactopyranoside, (3beta,4beta,5beta)-
3-
hydroxypregn-
20-
en-
4-
yl 6-
deoxy-
3-
O-
methyl-
, 2-
acetate
ChEBI
Registry Number
Type
Source
141544-59-4
CAS Registry Number
ChemIDplus
Citation
Type
Source
1687472
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:corticosteroid hormone(CHEBI:36699); ISA:3beta-hydroxy steroid(CHEBI:36836); ISA:hexose(CHEBI:18133); ISA:glycoside(CHEBI:24400); ISA:oxanes(CHEBI:46942); ISA:secondary alcohol(CHEBI:35681); ISA:organic hydroxy compound(CHEBI:33822); ISA:carboxylic ester(CHEBI:33308); ISA:organonitrogen compound(CHEBI:35352); ISA:ether(CHEBI:25698); ISA:acetal(CHEBI:59769); ISA:carbonyl compound(CHEBI:36586);