input word = C00032801

Metabolite InformationStructural formula
Name Cassiamin A
Formula C30H18O9
Mw 522.09508217
CAS RN 1828-75-7
C_ID C00032801 ,
InChIKey UECHIQHWRMWQKC-UHFFFAOYSA-N
InChICode InChI=1S/C30H18O9/c1-10-6-14-23(29(38)21-13(25(14)34)4-3-5-17(21)32)27(36)19(10)20-11(2)7-15-24(28(20)37)30(39)22-16(26(15)35)8-12(31)9-18(22)33/h3-9,31-33,36-37H,1-2H3
SMILES c1c(cc2c(c1O)C(=O)c1c(C2=O)cc(c(c1O)c1c(cc2C(=O)c3cccc(c3C(=O)c2c1O)O)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCassia siamea Ref.
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