input word = C00053276

Metabolite InformationStructural formula
Name Guajadial B
Formula C30H34O5
Mw 474.2406242
CAS RN 1414455-03-0
C_ID C00053276
InChIKey SCJBVAONMYLOHE-HVJKKXGLSA-N
InChICode InChI=1S/C30H34O5/c1-19-11-12-23-24(20-9-6-5-7-10-20)25-27(34)21(17-31)26(33)22(18-32)28(25)35-30(23,4)15-8-14-29(2,3)16-13-19/h5-10,13-14,17-18,23-24,33-34H,11-12,15-16H2,1-4H3/b14-8+,19-13-/t23-,24-,30+/m1/s1
SMILES C/C1=C/CC(C)(C)/C=C/C[C@]2(C)Oc3c(C=O)c(O)c(C=O)c(O)c3[C@H](c3ccccc3)[C@H]2CC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaePsidium guajava Ref.
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