CHEBI:202951 - Grifolinone B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Grifolinone B
ChEBI ID CHEBI:202951
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C44H54O7
Net Charge 0
Average Mass 694.909
Monoisotopic Mass 694.38695
InChI InChI=1S/C44H54O7/c1-26(2)20-34(45)22-30(7)14-10-12-28(5)17-19-37-42(49)40(32(9)41(48)43(37)50)44-33(25-35(51-44)21-27(3)4)15-11-13-29(6)16-18-36-38(46)23-31(8)24-39(36)47/h14,16-17,20-21,23-25,46-47,49H,10-13,15,18-19,22H2,1-9H3/b28-17+,29-16+,30-14+
InChIKey QRAUMDFIEAUWJF-ZSCFOPHXSA-N
SMILES O=C1C(=O)C(=C(C=2OC(C=C(C)C)=CC2CCC/C(=C/CC3=C(O)C=C(C)C=C3O)/C)C(=C1C/C=C(/CC/C=C(/CC(=O)C=C(C)C)\C)\C)O)C
Metabolite of Species Details
Neoalbatrellus caeruleoporus (NCBI:txid2530190) See: PubMed
ChEBI Ontology
Outgoing Grifolinone B (CHEBI:202951) is a diterpenoid (CHEBI:23849)
IUPAC Name
4-[3-[(E)-6-(2,6-dihydroxy-4-methylphenyl)-4-methylhex-4-enyl]-5-(2-methylprop-1-enyl)uran-2-yl]-5-hydroxy-3-methyl-6-[(2E,6E)-3,7,11-trimethyl-9-oxododeca-2,6,10-trienyl]cyclohexa-3,5-diene-1,2-dione
Manual Xref Database
78434743 ChemSpider
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