input word = C00053712

Metabolite InformationStructural formula
Name Psidial A
Formula C30H34O5
Mw 474.2406242
CAS RN 1207181-35-8
C_ID C00053712
InChIKey NSFVENNIBGTQJE-QIBYHJKFSA-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@@]2([H])[C@@](CC[C@@]3([H])[C@@]1([H])CC3(C)C)(C)OC(C(C=O)=C(O)C(C=O)=C4O)=C4[C@@]2([H])C5=CC=CC=C5
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaePsidium guajava Ref.
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