input word = C00053942

Metabolite InformationStructural formula
Name Debenzoylzucchini factor B
Formula C37H53NO3
Mw 559.40254456
CAS RN 308811-93-0
C_ID C00053942
InChIKey ZWMUXUKAKHYXMZ-YBTZDMJXSA-N
InChICode InChI=1S/C37H53NO3/c1-32(2)28-13-12-27-26(35(28,5)16-15-30(32)41-31(40)24-8-10-25(38)11-9-24)14-17-37(7)29-22-33(3,23-39)18-19-34(29,4)20-21-36(27,37)6/h8-12,14,28-30,39H,13,15-23,38H2,1-7H3/t28-,29+,30+,33+,34+,35+,36+,37-/m0/s1
SMILES NC1=CC=C(C(O[C@H]2C(C)(C)[C@@](CC=C3C4=CC[C@]5(C)[C@]3(C)CC[C@]6(C)[C@@]5([H])C[C@](C)(CO)CC6)([H])[C@]4(C)CC2)=O)C=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeCucurbita pepo Ref.
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OrganismCucurbita pepo
ReferenceAkihisa, T. et al., JCS Perkin 1, 1988, 439 (isol, pmr, cmr, cryst struct)