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 C1=C[C@@H]([C@]2([C@](C1=O)([C@@H]1[C@@H](C[C@H]2O)[C@]2([C@](CC1)([C@]([C@H](C2)O)(O)[C@]([C@H]1CC(=C(C(=O)O1)C)C)(C)O)C)O)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis angulata Ref.
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