CHEBI:67967 - (3S,3'S,4S,4'S,5R)-10,10'-dihydroxy-7,7',9,9'-tetramethoxy-3,3'-dimethyl-3,3',4,4'-tetrahydro-1H,1'H-5,5'-bibenzo[g]isochromene-4,4'-diyl diacetate

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ChEBI Name (3S,3'S,4S,4'S,5R)-10,10'-dihydroxy-7,7',9,9'-tetramethoxy-3,3'-dimethyl-3,3',4,4'-tetrahydro-1H,1'H-5,5'-bibenzo[g]isochromene-4,4'-diyl diacetate
ChEBI ID CHEBI:67967
Definition A natural product found in Conoideocrella tenuis.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C36H38O12
Net Charge 0
Average Mass 662.67970
Monoisotopic Mass 662.236
InChI InChI=1S/C36H38O12/c1-15-35(47-17(3)37)31-23(13-45-15)33(39)27-21(9-19(41-5)11-25(27)43-7)29(31)30-22-10-20(42-6)12-26(44-8)28(22)34(40)24-14-46-16(2)36(32(24)30)48-18(4)38/h9-12,15-16,35-36,39-40H,13-14H2,1-8H3/t15-,16-,35+,36+/m0/s1
InChIKey PEDZYCDSAWVMRN-DZEHZSJLSA-N
SMILES COc1cc(OC)c2c(O)c3CO[C@@H](C)[C@@H](OC(C)=O)c3c(-c3c4[C@H](OC(C)=O)[C@H](C)OCc4c(O)c4c(OC)cc(OC)cc34)c2c1
Metabolite of Species Details
Conoideocrella tenuis (NCBI:txid1105321) Found in mycelium (BTO:0001436). 1.Filtrate of mycelia macerated with methanol2.atropisomer of ES-242-2 of strain BCC 18627 See: PubMed
Conoideocrella tenuis (NCBI:txid1105321) Ethyl acetate extract of culture broth of strain BCC 18627 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 (3S,3'S,4S,4'S,5R)-10,10'-dihydroxy-7,7',9,9'-tetramethoxy-3,3'-dimethyl-3,3',4,4'-tetrahydro-1H,1'H-5,5'-bibenzo[g]isochromene-4,4'-diyl diacetate )
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ChEBI Ontology
Outgoing (3S,3'S,4S,4'S,5R)-10,10'-dihydroxy-7,7',9,9'-tetramethoxy-3,3'-dimethyl-3,3',4,4'-tetrahydro-1H,1'H-5,5'-bibenzo[g]isochromene-4,4'-diyl diacetate (CHEBI:67967) has role metabolite (CHEBI:25212)
(3S,3'S,4S,4'S,5R)-10,10'-dihydroxy-7,7',9,9'-tetramethoxy-3,3'-dimethyl-3,3',4,4'-tetrahydro-1H,1'H-5,5'-bibenzo[g]isochromene-4,4'-diyl diacetate (CHEBI:67967) is a lignan (CHEBI:25036)
Citation Waiting for Citations Type Source
21473608 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:organic heterotricyclic compound(CHEBI:26979); ISA:organooxygen compound(CHEBI:36963); ISA:hydroxybiphenyls(CHEBI:24681); ISA:biphenyls(CHEBI:22888); ISA:naphthols(CHEBI:25392); ISA:2-benzopyran(CHEBI:38444); ISA:methoxybenzene(CHEBI:51683); ISA:aromatic ether(CHEBI:35618); ISA:phenols(CHEBI:33853); ISA:pyrans(CHEBI:26407); ISA:carboxylic ester(CHEBI:33308); ISA:polyol(CHEBI:26191); ISA:organonitrogen compound(CHEBI:35352); ISA:ether(CHEBI:25698); ISA:aromatic alcohol(CHEBI:33854); ISA:carbonyl compound(CHEBI:36586);