input word = C00044430

Metabolite InformationStructural formula
Name 2-Deoxycucurbitacin D
Formula C30H44O6
Mw 500.31378914
CAS RN 639069-21-9
C_ID C00044430 ,
InChIKey KMFVVUWIGLRRLZ-LGQLQKCTNA-N
InChICode InChI=1S/C30H44O6/c1-25(2,35)14-13-22(33)30(8,36)24-19(31)15-27(5)20-11-9-17-18(10-12-21(32)26(17,3)4)29(20,7)23(34)16-28(24,27)6/h9,13-14,18-20,24,31,35-36H,10-12,15-16H2,1-8H3/b14-13+/t18-,19-,20+,24+,27+,28-,29+,30+/m1/s1
SMILES CC(C)(O)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](CCC(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeElaeocarpaceaeSloanea zuliaensis Ref.
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