input word = C00045398

Metabolite InformationStructural formula
Name Saprosmoside D
(-)-Saprosmoside D
Formula C36H44O22S2
Mw 892.17656455
CAS RN 438239-74-8
C_ID C00045398 ,
InChIKey PYQHCLXXOHHIDC-QGECERQGNA-N
InChICode InChI=1S/C36H44O22S2/c1-59-35(47)51-7-11-3-15(39)21-13(9-49-31(19(11)21)57-33-26(43)25(42)23(40)17(5-37)54-33)30(46)56-28-24(41)18(6-38)55-34(27(28)44)58-32-20-12(8-52-36(48)60-2)4-16-22(20)14(10-50-32)29(45)53-16/h3-4,9-10,15-28,31-34,37-44H,5-8H2,1-2H3/t15-,16-,17-,18-,19-,20-,21+,22+,23-,24-,25+,26-,27-,28+,31+,32+,33+,34+/m1/s1
SMILES [C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1O)O[C@H]1[C@@H]2C(=C[C@H]([C@@H]2C(=CO1)C(=O)O[C@H]1[C@H](O)[C@H](O[C@H]([C@@H]1O)O[C@@H]1OC=C2[C@@H]3[C@H]1C(=C[C@H]3OC2=O)COC(=O)SC)CO)O)COC(=O)SC)CO)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeSaprosma scortechinii Ref.
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