CHEBI:219073 - Bisacremine E

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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 Bisacremine E
ChEBI ID CHEBI:219073
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H38O7
Net Charge 0
Average Mass 438.561
Monoisotopic Mass 438.26175
InChI InChI=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
InChIKey RILPESKBPGUYBX-MMDUMRGBSA-N
SMILES O1C([C@H]2C=C3[C@@H](O)C[C@]([C@H]([C@H]3[C@H]([C@@H]2C1(C)C)C4=C[C@H](O)[C@@](O)(C)C[C@@H]4O)O)(O)C)(C)C
Metabolite of Species Details
Acremonium (NCBI:txid159075) See: PubMed
ChEBI Ontology
Outgoing 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
Manual Xref Database
35517193 ChemSpider
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