input word = C00051685

Metabolite InformationStructural formula
Name Myrciacitrin V
Formula C30H30O13
Mw 598.16864105
CAS RN 450414-00-3
C_ID C00051685
InChIKey UNSZUCUHDNOPMN-DBRSLAQWNA-N
InChICode InChI=1S/C30H30O13/c1-12-23(35)22-19(34)10-20(17-9-16(32)7-8-18(17)33)41-28(22)13(2)27(12)43-30-26(38)25(37)24(36)21(42-30)11-40-29(39)14-3-5-15(31)6-4-14/h3-9,20-21,24-26,30-33,35-38H,10-11H2,1-2H3/t20-,21+,24+,25-,26+,30-/m0/s1
SMILES Cc1c(O)c2c(c(C)c1O[C@@H]1O[C@H](COC(=O)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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