input word = C00031022

Metabolite InformationStructural formula
Name Physagulin N
(+)-Physagulin N
Formula C31H42O8
Mw 542.28796832
CAS RN 914774-51-9
C_ID C00031022 ,
InChIKey AVKVSPVJSULWPS-ASDLIKMONA-N
InChICode InChI=1S/C31H42O8/c1-15-10-23(38-27(34)16(15)2)17(3)21-12-26(37-18(4)32)31(35)22-13-25-30(39-25)14-19(36-7)11-24(33)29(30,6)20(22)8-9-28(21,31)5/h12,17,19-20,22-23,25-26,35H,8-11,13-14H2,1-7H3/t17-,19-,20-,22+,23+,25+,26-,28+,29-,30+,31-/m0/s1
SMILES C1[C@@H](C[C@]23[C@](C1=O)([C@@H]1[C@@H](C[C@H]2O3)[C@]2([C@](CC1)(C(=C[C@@H]2OC(=O)C)[C@@H]([C@H]1CC(=C(C(=O)O1)C)C)C)C)O)C)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis angulata L. Ref.
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