CHEBI:225591 - Xylodonin 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 Xylodonin B
ChEBI ID CHEBI:225591
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H30O4
Net Charge 0
Average Mass 382.500
Monoisotopic Mass 382.21441
InChI InChI=1S/C24H30O4/c1-23(2)12-7-13-24(3)20-17(15-27-22(20)26)14-18(21(23)24)28-19(25)11-10-16-8-5-4-6-9-16/h4-6,8-11,14,18,20-22,26H,7,12-13,15H2,1-3H3/b11-10+/t18-,20+,21-,22+,24+/m0/s1
InChIKey JVIVBUUWKBUORJ-FFZDIWAZSA-N
SMILES O=C(O[C@H]1C=C2[C@H]([C@H](O)OC2)[C@@]3([C@@H]1C(CCC3)(C)C)C)/C=C/C4=CC=CC=C4
Metabolite of Species Details
Xylodon flaviporus (NCBI:txid2173181) See: PubMed
ChEBI Ontology
Outgoing Xylodonin B (CHEBI:225591) is a naphthofuran (CHEBI:39270)
IUPAC Name
[(1R,5S,5aS,9aS,9bR)-1-hydroxy-6,6,9a-trimethyl-1,3,5,5a,7,8,9,9b-octahydrobenzo[e][2]benzouran-5-yl] (E)-3-phenylprop-2-enoate