CHEBI:208929 - Asperiene 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 Asperiene B
ChEBI ID CHEBI:208929
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H32O7
Net Charge 0
Average Mass 420.502
Monoisotopic Mass 420.21480
InChI InChI=1S/C23H32O7/c1-14(24)16(25)8-5-6-9-18(26)30-17-12-15-13-29-20(27)23(15,28)22(4)11-7-10-21(2,3)19(17)22/h5-6,8-9,12,14,16-17,19,24-25,28H,7,10-11,13H2,1-4H3/t14-,16-,17+,19-,22-,23-/m0/s1
InChIKey AVBLSPPEZPLINV-GNZHWTDASA-N
SMILES O=C1OCC=2[C@@]1(O)[C@@]3([C@H](C(CCC3)(C)C)[C@@H](C2)OC(=O)C=CC=C[C@H](O)[C@@H](O)C)C
Metabolite of Species Details
Aspergillus flavus (NCBI:txid5059) See: PubMed
ChEBI Ontology
Outgoing Asperiene B (CHEBI:208929) is a naphthofuran (CHEBI:39270)
IUPAC Name
[(5R,5aS,9aS,9bS)-9b-hydroxy-6,6,9a-trimethyl-1-oxo-3,5,5a,7,8,9-hexahydrobenzo[e][2]benzouran-5-yl] (6S,7S)-6,7-dihydroxyocta-2,4-dienoate