input word = C00056990

Metabolite InformationStructural formula
Name Psiguadial A
Formula C30H34O5
Mw 474.2406242
CAS RN 1254173-25-5
C_ID C00056990
InChIKey AXYPZJGNRHOELX-RZSMPIDTSA-N
InChICode InChI=1S/C30H34O5/c1-16-10-11-20-23(28(20,2)3)27-29(4)12-13-30(16,27)35-26-19(15-32)24(33)18(14-31)25(34)21(26)22(29)17-8-6-5-7-9-17/h5-9,14-16,20,22-23,27,33-34H,10-13H2,1-4H3/t16-,20+,22-,23+,27+,29+,30-/m0/s1
SMILES OC1=C(C=O)C(O)=C(C=O)C2=C1[C@@](C3=CC=CC=C3)([H])[C@@](C)(CC4)[C@]5([H])[C@@]4(O2)[C@@H](C)CC[C@]6([H])[C@@]5([H])C6(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaePsidium guajava Ref.
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