input word = C00006553

Metabolite InformationStructural formula
Name Calodenin A
Formula C30H22O9
Mw 526.1263823
CAS RN 113201-66-4
C_ID C00006553 ,
InChIKey NFPQQYQGNDMPGF-UHFFFAOYSA-N
InChICode InChI=1S/C30H22O9/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/h1-2,4-11,13-14,31-33,35-37H,3,12H2
SMILES Oc1cc(c(c2c1c(c(o2)c1ccc(cc1)O)C(=O)c1c(cc(cc1)O)O)C(=O)CCc1ccc(cc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOchnaceaeOchna afzelii Ref.
PlantaeOchnaceaeOchna calodendron Ref.
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