input word = C00045400

Metabolite InformationStructural formula
Name Saprosmoside F
Formula C36H46O23S2
Mw 910.18712924
CAS RN 438239-76-0
C_ID C00045400 ,
InChIKey OCXLLLWIXQZTLP-BQLQHGOQNA-N
InChICode InChI=1S/C36H46O23S2/c1-60-35(49)53-7-11-3-15(39)21-13(29(46)47)9-51-31(19(11)21)59-34-27(45)25(43)28(18(6-38)56-34)57-30(48)14-10-52-32(58-33-26(44)24(42)23(41)17(5-37)55-33)20-12(4-16(40)22(14)20)8-54-36(50)61-2/h3-4,9-10,15-28,31-34,37-45H,5-8H2,1-2H3,(H,46,47)/t15-,16-,17-,18-,19-,20-,21+,22+,23-,24+,25-,26-,27-,28-,31+,32+,33+,34+/m1/s1
SMILES CSC(=O)OCC1=C[C@H](O)[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](OC(=O)C4=CO[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H]5C(COC(=O)SC)=C[C@H](O)[C@H]45)[C@H](O)[C@H]3O)[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeSaprosma scortechinii Ref.
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