input word = C00045176

Metabolite InformationStructural formula
Name 3-(2,4-Dihydroxybenzoyl)-4,6-dihydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-yl 2-(4-hydroxyphenyl) ethenyl ketone
Calodenin B
Formula C30H20O9
Mw 524.11073224
CAS RN 88901-97-7
C_ID C00045176 ,
InChIKey OYSSHUWICGHBOU-KGVSQERTSA-N
InChICode InChI=1S/C30H20O9/c31-17-6-1-15(2-7-17)3-12-21(34)25-23(36)14-24(37)26-27(28(38)20-11-10-19(33)13-22(20)35)29(39-30(25)26)16-4-8-18(32)9-5-16/h1-14,31-33,35-37H/b12-3+
SMILES c1(cc(c2c(c1C(=O)/C=C/c1ccc(cc1)O)oc(c2C(=O)c1ccc(cc1O)O)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOchnaceaeBrackenridgea zanguebarica Ref.
PlantaeOchnaceaeOchna integerrima Ref.
PlantaeOchnaceaeOchna macrocalyx Ref.
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OrganismOchna macrocalyx
ReferenceTang, et al., Planta Med, 69, (2003), 247.

Pegnyemb, et al., Phytochemistry, 64, (2003), 661.