input word = C00045396

Metabolite InformationStructural formula
Name Saprosmoside B
(-)-Saprosmoside B
Formula C34H44O22S
Mw 836.20449382
CAS RN 438239-45-3
C_ID C00045396 ,
InChIKey VGQBMHXNJUYFRO-PYXKVDQXNA-N
InChICode InChI=1S/C34H44O22S/c1-57-34(48)51-7-11-3-15(39)21-13(9-50-31(19(11)21)55-32-26(44)24(42)22(40)16(5-36)52-32)29(47)54-27-25(43)23(41)17(6-37)53-33(27)56-30-18-10(4-35)2-14(38)20(18)12(8-49-30)28(45)46/h2-3,8-9,14-27,30-33,35-44H,4-7H2,1H3,(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)O[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]1[C@H]2[C@@H](C(=CO1)C(=O)O)[C@@H](C=C2CO)O)CO)O)O)CO)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeSaprosma scortechinii Ref.
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