input word = C00020669

Metabolite InformationStructural formula
Name Santarubin C
Formula C33H26O11
Mw 598.14751167
CAS RN 78859-50-4
C_ID C00020669 ,
InChIKey JSVNDKCKIVBQQK-UHFFFAOYSA-N
InChICode InChI=1S/C33H26O11/c1-41-26-12-17-27(14-4-6-20(34)22(36)10-14)18(8-15-5-7-21(35)29(39)31(15)42-2)32-19(28(17)33(43-3)30(26)40)9-16-11-23(37)24(38)13-25(16)44-32/h4-7,9-13,34-37,39-40H,8H2,1-3H3
SMILES c1(c(=O)cc2c(c1)cc1c(o2)c(c(c2c1c(c(c(c2)OC)O)OC)c1ccc(c(c1)O)O)Cc1ccc(c(c1OC)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeBaphia nitida Ref.
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OrganismBaphia nitida
ReferenceArnone,Phytochem.,20,(1981),799