input word = C00051684

Metabolite InformationStructural formula
Name Myrciacitrin IV
Formula C32H32O13
Mw 624.18429111
CAS RN 450413-99-7
C_ID C00051684
InChIKey VPHZQTMMIZNNMH-UCZPAFLDNA-N
InChICode InChI=1S/C32H32O13/c1-14-26(38)25-21(36)12-22(19-11-18(34)8-9-20(19)35)43-31(25)15(2)30(14)45-32-29(41)28(40)27(39)23(44-32)13-42-24(37)10-5-16-3-6-17(33)7-4-16/h3-11,22-23,27-29,32-35,38-41H,12-13H2,1-2H3/b10-5+/t22-,23+,27+,28-,29+,32-/m0/s1
SMILES Cc1c(O)c2c(c(C)c1O[C@@H]1O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](O)[C@H](O)[C@H]1O)O[C@H](c1cc(O)ccc1O)CC2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Myrcia multiflora Ref.
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