input word = C00008421

Metabolite InformationStructural formula
Name Mesuein
Formula C28H34O15
Mw 610.18977042
CAS RN 111128-08-6
C_ID C00008421 ,
InChIKey FQJQEELCDQKRAJ-NQIBZHEONA-N
InChICode InChI=1S/C28H34O15/c1-9-3-11(15-7-14(32)19-13(31)5-12(30)6-16(19)40-15)4-17(20(9)33)41-27-25(38)23(36)26(10(2)39-27)43-28-24(37)22(35)21(34)18(8-29)42-28/h3-6,10,15,18,21-31,33-38H,7-8H2,1-2H3/t10-,15-,18+,21-,22-,23-,24+,25+,26-,27-,28-/m0/s1
SMILES Cc1cc(C2CC(=O)c3c(O)cc(O)cc3O2)cc(O[C@@H]2O[C@@H](C)[C@H](O[C@@H]3OC(CO)[C@H](O)[C@H](O)C3O)C(O)C2O)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae-GuttiferaeMesua ferrea Ref.
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