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 CC(=O)O[C@H]1C=C([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)[C@@H](O)C[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)C=CCC(=O)[C@]34C)[C@]12O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis angulata Ref.
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