CHEBI:81274 - Lappaol B

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ChEBI Name Lappaol B
ChEBI ID CHEBI:81274
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C31H34O9
Net Charge 0
Average Mass 550.59630
Monoisotopic Mass 550.22028
InChI InChI=1S/C31H34O9/c1-35-25-8-5-17(12-27(25)37-3)9-20-16-39-31(34)21(20)10-18-11-22-23(15-32)29(40-30(22)28(13-18)38-4)19-6-7-24(33)26(14-19)36-2/h5-8,11-14,20-21,23,29,32-33H,9-10,15-16H2,1-4H3/t20-,21+,23-,29+/m0/s1
InChIKey KNSPNZVXPUCWMJ-WHNHDLKRSA-N
SMILES COc1cc(C[C@@H]2[C@@H](Cc3ccc(OC)c(OC)c3)COC2=O)cc2[C@H](CO)[C@H](Oc12)c1ccc(O)c(OC)c1
ChEBI Ontology
Outgoing Lappaol B (CHEBI:81274) is a benzofurans (CHEBI:35259)
Manual Xref Database
C17685 KEGG COMPOUND
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