input word = C00054311

Metabolite InformationStructural formula
Name Cassitoroside
Formula C25H32O14
Mw 556.17920573
CAS RN 170384-73-3
C_ID C00054311
InChIKey YLTMIJDMARBHGI-UHFFFAOYSA-N
InChICode InChI=1S/C25H32O14/c1-9(28)16-12(36-24-21(32)19(30)15(8-27)39-24)5-10-4-11(34-2)6-13(17(10)23(16)35-3)37-25-22(33)20(31)18(29)14(7-26)38-25/h4-6,14-15,18-22,24-27,29-33H,7-8H2,1-3H3
SMILES OCC1OC(OC2=CC(C=C(OC)C=C3OC4OC(CO)C(O)C(O)C4O)=C3C(OC)=C2C(C)=O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCassia tora Ref.
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