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 C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2([C@H]1OC(=O)C)C)CC[C@]1([C@H]3C[C@H]2[C@H]1[C@@H]([C@@H](C[C@@H]1[C@@]2(C(=O)OC1)C)O)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeDatura metel Ref.
PlantaeSolanaceaePhysalis angulata Ref.
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