input word = C00032231

Metabolite InformationStructural formula
Name Sublanceoside F4
Formula C47H72O19
Mw 940.46678012
CAS RN 923021-23-2
C_ID C00032231 ,
InChIKey OEULUESFLVFSRY-WGWDHQISNA-N
InChICode InChI=1S/C47H72O19/c1-20-39(64-35-15-30(55-7)41(22(3)60-35)66-44-38(53)37(52)36(51)31(17-48)63-44)26(49)13-33(58-20)65-40-21(2)59-34(14-29(40)54-6)61-28-12-23-8-9-24-25(45(23,4)16-27(28)50)10-11-47-19-57-46(5)42(47)32(18-56-46)62-43(24)47/h8,20-22,25-42,44,48-53H,9-19H2,1-7H3/t20-,21-,22+,25+,26+,27-,28-,29+,30-,31-,32-,33+,34+,35+,36+,37+,38-,39-,40-,41+,42-,44+,45+,46-,47+/m1/s1
SMILES C1[C@@]23C(=C4[C@H](C1)[C@@]1(C(=CC4)C[C@H]([C@@H](C1)O)O[C@@H]1O[C@@H]([C@H]([C@H](C1)OC)O[C@H]1C[C@@H]([C@@H]([C@H](O1)C)O[C@@H]1O[C@H]([C@@H]([C@@H](C1)OC)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)C)O)C)C)O[C@H]1[C@@H]2[C@](OC1)(OC3)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCynanchum sublanceolatum Ref.
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OrganismCynanchum sublanceolatum
ReferenceWarashina,Chem.Pharm.Bull.,54,(2006),1551