input word = C00053277

Metabolite InformationStructural formula
Name Guajadial C
Formula C30H34O5
Mw 474.2406242
CAS RN 1529775-02-7
C_ID C00053277
InChIKey FKDKMNYVVXIPCC-VRANUHBXSA-N
InChICode InChI=1S/C30H34O5/c1-17(2)20-10-9-18(3)21-11-12-30(14-23(20)21)13-22(19-7-5-4-6-8-19)26-28(34)24(15-31)27(33)25(16-32)29(26)35-30/h4-8,14-18,20-22,33-34H,9-13H2,1-3H3/t18-,20+,21-,22-,30+/m1/s1
SMILES CC(C)[C@@H]1CC[C@@H](C)[C@H]2CC[C@@]3(C=C12)C[C@H](c1ccccc1)c1c(O)c(C=O)c(O)c(C=O)c1O3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaePsidium guajava Ref.
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