input word = C00056939

Metabolite InformationStructural formula
Name Psidial B
Formula C30H36O6
Mw 492.25118888
CAS RN 1207181-36-9
C_ID C00056939
InChIKey POUWCXHIRSNTHS-RSGMIBILSA-N
InChICode InChI=1S/C30H36O6/c1-28(2)19-11-13-30(4,36)20-10-12-29(3,24(20)23(19)28)22(16-8-6-5-7-9-16)21-26(34)17(14-31)25(33)18(15-32)27(21)35/h5-9,14-15,19-20,22-24,33-36H,10-13H2,1-4H3/t19-,20-,22+,23-,24-,29-,30-/m1/s1
SMILES CC1(C)[C@H]2[C@H]3[C@@H](CC[C@]3(C)[C@@H](c3ccccc3)c3c(O)c(C=O)c(O)c(C=O)c3O)[C@](C)(O)CC[C@H]21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaePsidium guajava Ref.
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