input word = C00040013

Metabolite InformationStructural formula
Name Physanolide A
(+)-Physanolide A
Formula C30H44O6
Mw 500.31378914
CAS RN 904892-54-2
C_ID C00040013 ,
InChIKey LJBZPBXYAKDOPD-HAOQNQGPNA-N
InChICode InChI=1S/C30H44O6/c1-15-24(33)11-18-14-35-27(34)30(18,5)23-13-22-20-7-6-17-10-19(32)12-25(36-16(2)31)29(17,4)21(20)8-9-28(22,3)26(15)23/h6,15,18-26,32-33H,7-14H2,1-5H3/t15-,18+,19-,20-,21+,22+,23+,24-,25+,26-,28+,29+,30+/m1/s1
SMILES CC(=O)O[C@H]1C[C@H](O)CC2=CC[C@H]3[C@@H]4C[C@H]5[C@H]([C@H](C)[C@H](O)C[C@H]6COC(=O)[C@@]65C)[C@@]4(C)CC[C@@H]3[C@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeDatura metel Ref.
PlantaeSolanaceaePhysalis angulata Ref.
zoom in