input word = C00005984

Metabolite InformationStructural formula
Name Faratroside
Formula C35H42O22
Mw 814.21677303
CAS RN 79378-28-2
C_ID C00005984 ,
InChIKey PMLJRPCEHQGZDC-LHWOIRMSNA-N
InChICode InChI=1S/C35H42O22/c1-10-29(52-11(2)37)32(57-34-26(47)24(45)21(42)18(8-36)54-34)28(49)33(51-10)50-9-19-22(43)25(46)27(48)35(55-19)56-31-23(44)20-16(41)6-13(38)7-17(20)53-30(31)12-3-4-14(39)15(40)5-12/h3-7,10,18-19,21-22,24-29,32-36,38-43,45-49H,8-9H2,1-2H3/t10-,18-,19+,21-,22+,24+,25-,26-,27+,28-,29+,32+,33-,34+,35+/m1/s1
SMILES CC(=O)O[C@H]1C(C)O[C@@H](OCC2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)[C@H]2O)C(O)[C@H]1O[C@@H]1OC(CO)[C@@H](O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeColubrina faralaotra Ref.
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