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 C1C(=O)C(C2=CC[C@@H]3[C@]([C@@H]2C1)(C(=O)C[C@]1([C@]3(C[C@H]([C@@H]1[C@@](C(=O)/C=C/C(C)(C)O)(C)O)O)C)C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeElaeocarpaceaeSloanea zuliaensis Ref.
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