input word = C00002800

Metabolite InformationStructural formula
Name Cassiamin C
Formula C30H18O8
Mw 506.10016755
CAS RN 27567-11-9
C_ID C00002800 ,
InChIKey VUPMYTWJSPRETC-UHFFFAOYSA-N
InChICode InChI=1S/C30H18O8/c1-11-9-15-23(29(37)21-13(25(15)33)5-3-7-17(21)31)27(35)19(11)20-12(2)10-16-24(28(20)36)30(38)22-14(26(16)34)6-4-8-18(22)32/h3-10,31-32,35-36H,1-2H3
SMILES Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)C(=O)c1c(O)cccc1C3=O)C(=O)c1c(O)cccc1C2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCassia siamea Ref.
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OrganismCassia siamea
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter43