input word = C00053714

Metabolite InformationStructural formula
Name Psiguadial C
Formula C30H34O6
Mw 490.23553882
CAS RN 1402066-94-7
C_ID C00053714
InChIKey CPQSEDJLJOKDJD-DOMYYUMNSA-N
InChICode InChI=1S/C30H34O6/c1-28(2)19-10-13-30(4)20(36-30)11-12-29(3)22(16-8-6-5-7-9-16)21-25(34)17(14-31)24(33)18(15-32)26(21)35-27(29)23(19)28/h5-9,14-15,19-20,22-23,27,33-34H,10-13H2,1-4H3/t19-,20-,22+,23-,27+,29-,30-/m1/s1
SMILES [H][C@]1(C2=CC=CC=C2)C3=C(C(C=O)=C(O)C(C=O)=C3O)O[C@]4([H])[C@]1(C)CC[C@]5([H])[C@@](O5)(C)CC[C@](C6(C)C)([H])[C@]46[H]
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaePsidium guajava Ref.
zoom in