input word = C00042421

Metabolite InformationStructural formula
Name Cucurbitoside I
(-)-Cucurbitoside I
Formula C26H33NO12
Mw 551.20027553
CAS RN 872604-99-4
C_ID C00042421 ,
InChIKey ACOKXVSLVQCZRD-BPUUCIDJNA-N
InChICode InChI=1S/C26H33NO12/c27-16-5-3-15(4-6-16)23(33)35-12-26(34)13-36-25(22(26)32)39-21-20(31)19(30)18(11-29)38-24(21)37-17-7-1-14(2-8-17)9-10-28/h1-8,18-22,24-25,28-32,34H,9-13,27H2/t18-,19-,20+,21-,22+,24-,25+,26-/m1/s1
SMILES [C@H]1([C@H]([C@@H]([C@H](O[C@H]1Oc1ccc(cc1)CCO)CO)O)O)O[C@@H]1OC[C@]([C@H]1O)(O)COC(=O)c1ccc(cc1)N
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeCucurbita pepo Ref.
PlantaeCucurbitaceaeCucurbita sp. Ref.
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