input word = C00057992

Metabolite InformationStructural formula
Name Syzyginin B
Formula C33H24O21
Mw 756.08100783
CAS RN 185424-97-9
C_ID C00057992
InChIKey ZIWUSEBLXCYTOC-UHFFFAOYSA-N
InChICode InChI=1S/C33H24O21/c34-6-16(40)27(53-31(47)8-1-11(35)21(42)12(36)2-8)28-17(41)7-50-32(48)10-4-15(39)26-30(51-18-5-14(38)23(44)25(46)29(18)52-26)20(10)19-9(33(49)54-28)3-13(37)22(43)24(19)45/h1-6,16-17,27-28,35-46H,7H2
SMILES O=CC(O)C(OC(=O)c1cc(O)c(O)c(O)c1)C1OC(=O)c2cc(O)c(O)c(O)c2-c2c(cc(O)c3c2Oc2cc(O)c(O)c(O)c2O3)C(=O)OCC1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaeSyzygium aromaticum Ref.
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OrganismSyzygium aromaticum
ReferenceTanaka, T. et al., Phytochemistry, 1996, 43, 1345 (isol, pmr, cmr)