input word = C00058572

Metabolite InformationStructural formula
Name Leachianol B
Formula C42H32O9
Mw 680.20463262
CAS RN 163565-63-7
C_ID C00058572
InChIKey UJRHQRKXZNGSTL-UHFFFAOYSA-N
InChICode InChI=1S/C42H32O9/c43-23-7-1-19(2-8-23)33-35-29(16-28(48)17-31(35)49)36-37(33)30-18-32(50)38-34(20-3-9-24(44)10-4-20)40(22-13-26(46)15-27(47)14-22)42(30,41(38)51)39(36)21-5-11-25(45)12-6-21/h1-18,33-34,36-40,43-49H
SMILES O=C1C=C2C3C(c4ccc(O)cc4)c4c(O)cc(O)cc4C3C(c3ccc(O)cc3)C23C(=O)C1C(c1ccc(O)cc1)C3c1cc(O)cc(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeSophora leachiana Ref.
zoom in