input word = C00035297

Metabolite InformationStructural formula
Name Dulcisxanthone A
Formula C41H44O21
Mw 872.23750847
CAS RN 869669-60-3
C_ID C00035297 ,
InChIKey SNMFBSRSMMXRII-IKDJVBILNA-N
InChICode InChI=1S/C41H44O21/c1-16-34(56-18(3)43)37(58-20(5)45)40(61-23(8)48)41(54-16)53-15-29-35(57-19(4)44)38(59-21(6)46)39(60-22(7)47)36(62-29)30-27(49)13-28-31(33(30)51)32(50)26(14-52-28)24-9-11-25(12-10-24)55-17(2)42/h9-14,16,29,34-41,49,51H,15H2,1-8H3/t16-,29+,34-,35+,36-,37+,38-,39-,40+,41+/m0/s1
SMILES c1(c(c(c2c(c1)occ(c2=O)c1ccc(cc1)OC(=O)C)O)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia dulcis Ref.
zoom in