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CHEBI:222995 - (3R,3aS,4aS,11aS,12S)-12-acetyl-9,10,11a-trihydroxy-3a,11a-dihydro-3H-4a,3-ethanoanthra[2,3-c]furan-1,5,11(4H)-trione

ChEBI IDCHEBI:222995
ChEBI Name(3R,3aS,4aS,11aS,12S)-12-acetyl-9,10,11a-trihydroxy-3a,11a-dihydro-3H-4a,3-ethanoanthra[2,3-c]furan-1,5,11(4H)-trione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H16O8
Net Charge0
Average Mass384.340
Monoisotopic Mass384.08452
SMILESCC(=O)[C@@H]1C[C@H]2OC(=O)[C@@]3(O)C(=O)C4=C(O)c5c(O)cccc5C(=O)[C@]41C[C@@H]23
InChIInChI=1S/C20H16O8/c1-7(21)9-5-12-10-6-19(9)14(17(25)20(10,27)18(26)28-12)15(23)13-8(16(19)24)3-2-4-11(13)22/h2-4,9-10,12,22-23,27H,5-6H2,1H3/t9-,10-,12+,19-,20-/m0/s1
InChIKeyIVOXVCSDNCMJBW-YXNQZLLCSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (31553109)
ChEBI Ontology
Outgoing Relation(s)
(3R,3aS,4aS,11aS,12S)-12-acetyl-9,10,11a-trihydroxy-3a,11a-dihydro-3H-4a,3-ethanoanthra[2,3-c]furan-1,5,11(4H)-trione (CHEBI:222995) is a diterpene lactone (CHEBI:49193)