input word = C00054896

Metabolite InformationStructural formula
Name 2'',4''-Di-O-acetylmearnsitrin
Formula C26H26O14
Mw 562.13225554
CAS RN 1256288-35-3
C_ID C00054896
InChIKey JZQSQKFVBILRJH-IHAPNPHWSA-N
InChICode InChI=1S/C26H28O14/c1-9-21(37-10(2)27)20(34)25(38-11(3)28)26(36-9)40-24-19(33)18-14(30)7-13(29)8-17(18)39-22(24)12-5-15(31)23(35-4)16(32)6-12/h5-9,20-22,24-26,29-32,34H,1-4H3/t9-,20+,21-,22?,24?,25+,26-/m0/s1
SMILES COc1c(O)cc(C2Oc3cc(O)cc(O)c3C(=O)C2O[C@@H]2O[C@@H](C)[C@H](OC(C)=O)[C@@H](O)[C@H]2OC(C)=O)cc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrsinaceaeMyrsine africana Ref.
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