input word = C00042422

Metabolite InformationStructural formula
Name Cucurbitoside J
(-)-Cucurbitoside J
Formula C25H38O13
Mw 546.2312413
CAS RN 872605-00-0
C_ID C00042422 ,
InChIKey PSQDLUHLEIWGCS-YGEWCMGDNA-N
InChICode InChI=1S/C25H38O13/c1-4-13(2)22(31)34-11-25(32)12-35-24(21(25)30)38-20-19(29)18(28)17(10-27)37-23(20)36-15-6-5-14(7-8-26)9-16(15)33-3/h5-6,9,13,17-21,23-24,26-30,32H,4,7-8,10-12H2,1-3H3/t13-,17+,18+,19-,20+,21-,23+,24-,25+/m0/s1
SMILES [C@H]1([C@H]([C@@H]([C@H](O[C@H]1Oc1ccc(cc1OC)CCO)CO)O)O)O[C@@H]1OC[C@]([C@H]1O)(O)COC(=O)[C@@H](C)CC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeCucurbita pepo Ref.
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