input word = C00045397

Metabolite InformationStructural formula
Name Saprosmoside C
(-)-Saprosmoside C
Formula C34H42O21S
Mw 818.19392914
CAS RN 438239-46-4
C_ID C00045397 ,
InChIKey SSONCXFOGTVDNE-VVQFEXBQNA-N
InChICode InChI=1S/C34H42O21S/c1-56-34(46)49-7-11-3-15-21-13(28(44)50-15)9-48-31(19(11)21)55-33-26(43)27(23(40)17(6-37)52-33)53-29(45)12-8-47-30(18-10(4-35)2-14(38)20(12)18)54-32-25(42)24(41)22(39)16(5-36)51-32/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 [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)CO)CO)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeSaprosma scortechinii Ref.
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