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.
Supplier Information
Download Molfile XML SDF
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 Waiting for Citations 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);