input word = C00040658

Metabolite InformationStructural formula
Name Withangulatin G
(+)-Withangulatin G
Formula C28H40O10
Mw 536.2621475
CAS RN 946074-83-5
C_ID C00040658 ,
InChIKey AXVGKUKJECSDCD-MUVCGDRCNA-N
InChICode InChI=1S/C28H40O10/c1-13-10-21(38-22(33)14(13)2)25(5,34)28(37)20(32)12-26(35)16-11-19(31)27(36)18(30)7-6-17(29)24(27,4)15(16)8-9-23(26,28)3/h6-7,15-16,18-21,30-32,34-37H,8-12H2,1-5H3/t15-,16+,18-,19+,20-,21+,23-,24-,25+,26+,27-,28-/m0/s1
SMILES CC1=C(C)C(=O)O[C@@H]([C@@](C)(O)[C@]2(O)[C@@H](O)C[C@@]3(O)[C@@H]4C[C@@H](O)[C@@]5(O)[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis angulata Ref.
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