input word = C00053273

Metabolite InformationStructural formula
Name Guadial B
Formula C25H26O5
Mw 406.17802394
CAS RN 1783802-72-1
C_ID C00053273
InChIKey UATHZDXYHGOOTR-ACQBZQKMSA-N
InChICode InChI=1S/C25H26O5/c1-24(2)14-9-17-19(13-7-5-4-6-8-13)20-22(29)15(11-26)21(28)16(12-27)23(20)30-25(17,3)18(24)10-14/h4-8,11-12,14,17-19,28-29H,9-10H2,1-3H3/t14-,17+,18+,19+,25-/m1/s1
SMILES CC1(C)[C@]2([H])C[C@@]3([H])[C@H](C4=CC=CC=C4)C5=C(O)C(C=O)=C(O)C(C=O)=C5O[C@@]3(C)[C@]1(C2)[H]
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaePsidium guajava Ref.
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