input word = C00053275

Metabolite InformationStructural formula
Name Guajadial
Formula C30H34O5
Mw 474.2406242
CAS RN 959860-49-2
C_ID C00053275
InChIKey NSFVENNIBGTQJE-AHMOOTABSA-N
InChICode InChI=1S/C30H34O5/c1-17-10-11-23-24(18-8-6-5-7-9-18)25-27(34)20(15-31)26(33)21(16-32)28(25)35-30(23,4)13-12-22-19(17)14-29(22,2)3/h5-9,15-16,19,22-24,33-34H,1,10-14H2,2-4H3/t19-,22-,23+,24+,30-/m0/s1
SMILES C=C1CC[C@@H]2[C@@H](c3ccccc3)c3c(O)c(C=O)c(O)c(C=O)c3O[C@@]2(C)CC[C@H]2[C@H]1CC2(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaePsidium guajava Ref.
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