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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:69622 - Hypocrellol A
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ChEBI Ontology
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ChEBI Name
Hypocrellol A
ChEBI ID
CHEBI:69622
Definition
A natural product found in
Hypocrella
species.
Stars
This entity has been manually annotated by a third party.
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Formula
C30H48O3
Net Charge
0
Average Mass
456.70030
Monoisotopic Mass
456.36035
InChI
InChI=1S/C30H48O3/c1-
26(2)
23-
10-
9-
22-
21(28(23,5)
15-
14-
24(26)
31)
13-
17-
29(6)
20(12-
16-
30(22,29)
7)
19-
8-
11-
25(33-
18-
19)
27(3,4)
32/h9,13,19-
20,23-
25,31-
32H,8,10-
12,14-
18H2,1-
7H3/t19-
,20+,23-
,24-
,25+,28+,29+,30-
/m0/s1
InChIKey
KDYOPGCGQCXINZ-ASSAYMTPSA-N
SMILES
[H]
[C@@]
1(CC[C@@H]
(OC1)
C(C)
(C)
O)
[C@@]
1([H]
)
CC[C@@]
2(C)
C3=CC[C@@]
4([H]
)
C(C)
(C)
[C@@H]
(O)
CC[C@]
4(C)
C3=CC[C@]
12C
Metabolite of Species
Details
Hypocrella
(NCBI:txid42305)
Found in mycelium
(BTO:0001436)
. The fungus was isolated form scale insect of strain BCC 14524 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
Hypocrellol A (
CHEBI:69622
)
has role
metabolite (
CHEBI:25212
)
Hypocrellol A (
CHEBI:69622
)
is a
triterpenoid (
CHEBI:36615
)
Citation
Type
Source
21995505
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:3beta-hydroxy steroid(CHEBI:36836); ISA:steroid(CHEBI:35341); ISA:disaccharide(CHEBI:36233); ISA:oxanes(CHEBI:46942); ISA:tertiary alcohol(CHEBI:26878); ISA:organic hydroxy compound(CHEBI:33822); ISA:secondary alcohol(CHEBI:35681); ISA:ether(CHEBI:25698);