input word = C00045395

Metabolite InformationStructural formula
Name Saprosmoside A
(-)-Saprosmoside A
Formula C34H44O22S
Mw 836.20449382
CAS RN 438239-44-2
C_ID C00045395 ,
InChIKey VATYFHYJIYHADX-GNMOOKRHNA-N
InChICode InChI=1S/C34H44O22S/c1-57-34(48)52-6-11-3-15(38)21-13(8-51-31(19(11)21)56-32-26(43)24(41)22(39)16(5-36)53-32)29(47)49-9-17-23(40)25(42)27(44)33(54-17)55-30-18-10(4-35)2-14(37)20(18)12(7-50-30)28(45)46/h2-3,7-8,14-27,30-33,35-44H,4-6,9H2,1H3,(H,45,46)/t14-,15-,16-,17-,18-,19-,20+,21+,22-,23-,24+,25+,26-,27-,30+,31+,32+,33+/m1/s1
SMILES [C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1O)O[C@@H]1OC=C([C@@H]2[C@H]1C(=C[C@H]2O)COC(=O)SC)C(=O)OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)O[C@@H]1OC=C([C@@H]2[C@H]1C(=C[C@H]2O)CO)C(=O)O)CO)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeSaprosma scortechinii Ref.
zoom in