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CHEBI:219073 - Bisacremine E

ChEBI IDCHEBI:219073
ChEBI NameBisacremine E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H38O7
Net Charge0
Average Mass438.561
Monoisotopic Mass438.26175
SMILESCC1(C)OC(C)(C)[C@H]2C=C3[C@H]([C@@H](C4=C[C@H](O)[C@](C)(O)C[C@@H]4O)[C@@H]21)[C@H](O)[C@](C)(O)C[C@@H]3O
InChIInChI=1S/C24H38O7/c1-21(2)13-7-11-15(26)10-24(6,30)20(28)18(11)17(19(13)22(3,4)31-21)12-8-16(27)23(5,29)9-14(12)25/h7-8,13-20,25-30H,9-10H2,1-6H3/t13-,14-,15-,16-,17+,18+,19+,20-,23+,24+/m0/s1
InChIKeyRILPESKBPGUYBX-MMDUMRGBSA-N
Species of MetaboliteComponentSourceComments
Acremonium (ncbitaxon:159075) - PubMed (26399982)
ChEBI Ontology
Outgoing Relation(s)
Bisacremine E (CHEBI:219073) is a naphthofuran (CHEBI:39270)
IUPAC Name 
(3aS,4R,4aS,5S,6R,8S,9aS)-1,1,3,3,6-pentamethyl-4-[(3S,4R,6S)-3,4,6-trihydroxy-4-methylcyclohexen-1-yl]-4,4a,5,7,8,9a-hexahydro-3aH-benzo[][2]benzouran-5,6,8-triol
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35517193ChemSpider