input word = C00041248

Metabolite InformationStructural formula
Name 16-Deoxycucurbitacin B
(+)-16-Deoxycucurbitacin B
Formula C32H46O7
Mw 542.32435382
CAS RN 918955-89-2
C_ID C00041248 ,
InChIKey BXYMOPHDFDLMEA-FXKBURPPNA-N
InChICode InChI=1S/C32H46O7/c1-18(33)39-27(2,3)14-13-24(35)32(9,38)23-12-15-29(6)22-11-10-19-20(16-21(34)26(37)28(19,4)5)31(22,8)25(36)17-30(23,29)7/h10,13-14,20-23,34,38H,11-12,15-17H2,1-9H3/b14-13+/t20-,21+,22+,23+,29+,30-,31+,32-/m1/s1
SMILES C1(=O)[C@@]2([C@H]([C@]3([C@](C1)([C@H](CC3)[C@](C(=O)/C=C/C(C)(C)OC(=O)C)(O)C)C)C)CC=C1[C@H]2C[C@@H](C(=O)C1(C)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTricholomataceaeLeucopaxillus gentianeus Ref.
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