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 O=CC1=C(O)C([C@@](C2=CC=CC=C2)([H])[C@](CCC3=C)([H])[C@@](CC[C@@]4([H])[C@@]3([H])CC4(C)C)(C)O5)=C5C(C=O)=C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaePsidium guajava Ref.
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