input word = C00033360

Metabolite InformationStructural formula
Name Saprosmoside H
(-)-Saprosmoside H
Formula C34H42O21S
Mw 818.19392914
CAS RN 471283-27-9
C_ID C00033360 ,
InChIKey WGKFNKQBTTUDPE-GNMOOKRHNA-N
InChICode InChI=1S/C34H42O21S/c1-56-34(46)49-7-11-2-14(38)20-12(8-47-31(19(11)20)54-32-26(43)24(41)22(39)16(5-36)51-32)29(45)53-27-25(42)23(40)17(6-37)52-33(27)55-30-18-10(4-35)3-15-21(18)13(9-48-30)28(44)50-15/h2-3,8-9,14-27,30-33,35-43H,4-7H2,1H3/t14-,15-,16-,17-,18-,19-,20+,21+,22-,23-,24+,25+,26-,27-,30+,31+,32+,33+/m1/s1
SMILES O1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1O[C@@H]1OC=C2[C@@H]3[C@H]1C(=C[C@H]3OC2=O)CO)OC(=O)C1=CO[C@H]([C@H]2[C@@H]1[C@@H](C=C2COC(=O)SC)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeGentiana straminea Ref.
PlantaeRubiaceaeSaprosma scortechinii Ref.
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