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CHEBI:70397 - hyperaspidinol B
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ChEBI Name
hyperaspidinol B
ChEBI ID
CHEBI:70397
Definition
A natural product found in
Hypericum chinense
.
Stars
This entity has been manually annotated by a third party.
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Formula
C32H32O9
Net Charge
0
Average Mass
560.59110
Monoisotopic Mass
560.20463
InChI
InChI=1S/C32H32O9/c1-
5-
16(2)
28(33)
27-
29(34)
17(3)
30(35-
4)
21-
11-
20-
13-
24(18-
6-
8-
22-
25(10-
18)
38-
14-
36-
22)
40-
32(20,41-
31(21)
27)
19-
7-
9-
23-
26(12-
19)
39-
15-
37-
23/h6-
10,12,16,20,24,34H,5,11,13-
15H2,1-
4H3/t16?,20-
,24-
,32?/m0/s1
InChIKey
QQKWQUVKXGHNEF-PJSQIOKLSA-N
SMILES
[H][C@]12C[C@H](OC1(Oc1c(C2)c(OC)c(C)c(O)c1C(=O)C(C)CC)c1ccc2OCOc2c1)c1ccc2OCOc2c1
Metabolite of Species
Details
Hypericum chinense
(IPNI:433315-1)
Found in leaf
(BTO:0000713)
. 95% EtOH extract of dried, chopped leaves 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
hyperaspidinol B (
CHEBI:70397
)
has role
metabolite (
CHEBI:25212
)
hyperaspidinol B (
CHEBI:70397
)
is a
ether (
CHEBI:25698
)
Citation
Type
Source
21043475
PubMed citation
Europe PMC
Last Modified
04 June 2015
General Comment
2014-10-17
Suggested Classification: ISA:hydroxyflavonoid(CHEBI:71968); ISA:flavans(CHEBI:38672); ISA:butanone(CHEBI:22951); ISA:1-benzopyran(CHEBI:38443); ISA:phenols(CHEBI:33853); ISA:methoxybenzene(CHEBI:51683); ISA:furopyran(CHEBI:74927); ISA:acetophenones(CHEBI:22187); ISA:benzodioxoles(CHEBI:38298); ISA:hydroxytoluene(CHEBI:24751); ISA:carbonyl compound(CHEBI:36586); ISA:aromatic ketone(CHEBI:76224); ISA:toluenes(CHEBI:27024); ISA:aromatic ether(CHEBI:35618); ISA:pyrans(CHEBI:26407); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:oxolanes(CHEBI:26912); ISA:furans(CHEBI:24129); ISA:enol(CHEBI:33823); ISA:organonitrogen compound(CHEBI:35352); ISA:acetal(CHEBI:59769); ISA:aromatic alcohol(CHEBI:33854);