input word = C00057689

Metabolite InformationStructural formula
Name Physagulin O
Formula C30H40O9
Mw 544.26723288
CAS RN 952671-88-4
C_ID C00057689
InChIKey OMXOYSUYNDLNQT-XFZRHVTASA-N
InChICode InChI=1S/C30H40O9/c1-14-10-21(39-26(35)15(14)2)16(3)18-13-25(38-17(4)31)30(37)20-12-24(34)29(36)9-7-8-22(32)27(29,5)19(20)11-23(33)28(18,30)6/h7,9,13,16,19-21,23-25,33-34,36-37H,8,10-12H2,1-6H3/t16-,19-,20+,21+,23-,24+,25-,27-,28-,29-,30-/m0/s1
SMILES O[C@]12[C@@](C(CC=C2)=O)(C)[C@@]3([H])C[C@H](O)[C@@]4(C)[C@]([C@@H](OC(C)=O)C=C4[C@@H]([C@]5([H])OC(C(C)=C(C)C5)=O)C)(O)[C@]3([H])C[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis angulata Ref.
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