input word = C00015753

Metabolite InformationStructural formula
Name Cassigerol A
Formula C28H24O8
Mw 488.14711774
CAS RN 106387-02-4
C_ID C00015753 ,
InChIKey SJCXTMZZGQRDQF-UHFFFAOYNA-N
InChICode InChI=1S/C28H24O8/c29-16-3-13(4-17(30)9-16)5-22-21-12-26(35)25(34)11-20(21)19(14-1-2-23(32)24(33)8-14)7-15-6-18(31)10-27(36)28(15)22/h1-4,6,8-12,19,22,29-36H,5,7H2/t19-,22+/m0/s1
SMILES Oc1cc(O)cc(CC2c3cc(O)c(O)cc3C(c3ccc(O)c(O)c3)Cc3cc(O)cc(O)c32)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCassia garrettiana Ref.
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