input word = C00063467

Metabolite InformationStructural formula
Name Guavin B
Formula C33H26O17
Mw 694.11699941
CAS RN 94530-90-2
C_ID C00063467
InChIKey RPZNIDVYYGUDPA-UHFFFAOYSA-N
InChICode InChI=1S/C33H26O17/c34-15-6-12(7-16(35)22(15)23(38)11-4-2-1-3-5-11)48-33-29(44)28(43)30-19(49-33)10-47-31(45)13-8-17(36)24(39)26(41)20(13)21-14(32(46)50-30)9-18(37)25(40)27(21)42/h1-9,19,28-30,33-37,39-44H,10H2/t19?,28-,29-,30?,33-/m1/s1
SMILES O=C1OCC2OC(Oc3cc(O)c(C(=O)c4ccccc4)c(O)c3)C(O)C(O)C2OC(=O)c2cc(O)c(O)c(O)c2-c2c1cc(O)c(O)c2O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaePsidium guajava Ref.
zoom in