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CHEBI:209462 - Tetrahydrobisvertinolone

ChEBI IDCHEBI:209462
ChEBI NameTetrahydrobisvertinolone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H36O9
Net Charge0
Average Mass516.587
Monoisotopic Mass516.23593
SMILESC/C=C/CCC(=O)C1=C(O)[C@@]2(C)[C@H]3C(C(=O)CC/C=C/C)=C(O)C(C)=C(O)[C@@]3(C)O[C@@]2(O)[C@@](C)(O)C1=O
InChIInChI=1S/C28H36O9/c1-7-9-11-13-16(29)18-20(31)15(3)22(32)26(5)21(18)25(4)23(33)19(17(30)14-12-10-8-2)24(34)27(6,35)28(25,36)37-26/h7-10,21,31-33,35-36H,11-14H2,1-6H3/b9-7+,10-8+/t21-,25-,26+,27+,28-/m1/s1
InChIKeyFEQQKMZNFKCWST-QCNVSJCTSA-N
Species of MetaboliteComponentSourceComments
Penicillium terrestre (ncbitaxon:374132) - PubMed (16161481)
ChEBI Ontology
Outgoing Relation(s)
Tetrahydrobisvertinolone (CHEBI:209462) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(4S,4aR,5aS,9aR,9bR)-2,9-bis[(E)-hex-4-enoyl]-1,4,4a,6,8-pentahydroxy-4,5a,7,9b-tetramethyl-9aH-dibenzouran-3-one
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9447318ChemSpider