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CHEBI:81274 - Lappaol B

ChEBI IDCHEBI:81274
ChEBI NameLappaol B
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DownloadsMolfile
FormulaC31H34O9
Net Charge0
Average Mass550.604
Monoisotopic Mass550.22028
SMILESCOc1cc([C@H]2Oc3c(OC)cc(C[C@H]4C(=O)OC[C@@H]4Cc4ccc(OC)c(OC)c4)cc3[C@@H]2CO)ccc1O
InChIInChI=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
InChIKeyKNSPNZVXPUCWMJ-WHNHDLKRSA-N
ChEBI Ontology
Outgoing Relation(s)
Lappaol B (CHEBI:81274) is a benzofurans (CHEBI:35259)
Manual XrefsDatabases
C17685KEGG COMPOUND