input word = C00035165

Metabolite InformationStructural formula
Name Withastramonolide
Formula C28H38O7
Mw 486.26175357
CAS RN 66873-31-2
C_ID C00035165 ,
InChIKey ZYXVOZNURJLMFP-PHPBHGNRNA-N
InChICode InChI=1S/C28H38O7/c1-13-10-19(34-25(32)15(13)12-29)14(2)16-7-8-17-22-18(11-21(31)26(16,17)3)27(4)20(30)6-5-9-28(27,33)24-23(22)35-24/h5-6,14,16-19,21-24,29,31,33H,7-12H2,1-4H3/t14-,16+,17-,18-,19+,21-,22-,23-,24-,26+,27-,28-/m0/s1
SMILES C1=CC[C@]2([C@](C1=O)([C@@H]1[C@@H]([C@H]3[C@@H]2O3)[C@H]2[C@]([C@H](C1)O)([C@H](CC2)[C@@H]([C@@H]1OC(=O)C(=C(C1)C)CO)C)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeWithania somnifera Ref.
zoom in