input word = C00056940

Metabolite InformationStructural formula
Name Psidial C
Formula C30H36O6
Mw 492.25118888
CAS RN 1207181-37-0
C_ID C00056940
InChIKey WVTHDNLPAQSIKW-NWZCAPDESA-N
InChICode InChI=1S/C30H36O6/c1-17-10-11-22(30(4)13-12-19(14-23(17)30)29(2,3)36)24(18-8-6-5-7-9-18)25-27(34)20(15-31)26(33)21(16-32)28(25)35/h5-9,14-17,19,22,24,33-36H,10-13H2,1-4H3/t17-,19-,22+,24-,30+/m1/s1
SMILES C[C@@H]1CC[C@@H]([C@@H](c2ccccc2)c2c(O)c(C=O)c(O)c(C=O)c2O)[C@]2(C)CC[C@@H](C(C)(C)O)C=C12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaePsidium guajava Ref.
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