input word = C00053713

Metabolite InformationStructural formula
Name Psiguadial B
Formula C30H34O5
Mw 474.2406242
CAS RN 1254173-26-6
C_ID C00053713
InChIKey VQEQFWRBNNDZOR-VJNGVMQUSA-N
InChICode InChI=1S/C30H34O5/c1-28(2)13-22-20(28)10-12-30-16-29(22,3)11-9-21(30)23(17-7-5-4-6-8-17)24-26(34)18(14-31)25(33)19(15-32)27(24)35-30/h4-8,14-15,20-23,33-34H,9-13,16H2,1-3H3/t20-,21+,22+,23+,29+,30-/m1/s1
SMILES CC1(C)C[C@H]2[C@H]1CC[C@@]13C[C@]2(C)CC[C@H]1[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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OrganismPsidium guajava
ReferenceQin, X-J. et al., J. Agric. Food Chem., 65, (2017), 4993-4999.