input word = C00056798

Metabolite InformationStructural formula
Name Psidiumoic acid
Formula C32H52O5
Mw 516.38147477
CAS RN 1006033-02-8
C_ID C00056798
InChIKey UGWNQYZYJNZARC-PROZZQCMSA-N
InChICode InChI=1S/C32H52O5/c1-27(2)12-14-32(26(35)36)15-13-30(6)20(21(32)18-27)8-9-24-29(5)19-22(37-17-16-33)25(34)28(3,4)23(29)10-11-31(24,30)7/h8,21-25,33-34H,9-19H2,1-7H3,(H,35,36)/t21-,22+,23-,24+,25-,29-,30+,31+,32-/m0/s1
SMILES CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](OCCO)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaePsidium guajava Ref.
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