input word = C00031021

Metabolite InformationStructural formula
Name Physagulin M
(+)-Physagulin M
Formula C30H40O9
Mw 544.26723288
CAS RN 914774-50-8
C_ID C00031021 ,
InChIKey REOWXEUUAXLCRM-DADWSHFUNA-N
InChICode InChI=1S/C30H40O8/c1-15-12-22(38-26(34)16(15)2)17(3)20-14-25(37-18(4)31)30(36)21-13-24(33)29(35)10-7-8-23(32)28(29,6)19(21)9-11-27(20,30)5/h7-8,14,17,19,21-22,24-25,33,35-36H,9-13H2,1-6H3/t17-,19-,21+,22+,24+,25-,27+,28-,29-,30-/m0/s1
SMILES C1=CC[C@]2([C@](C1=O)([C@@H]1[C@@H](C[C@H]2O)[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)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis angulata L. Ref.
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