input word = C00034831

Metabolite InformationStructural formula
Name Craigoside C
(-)-Craigoside C
Formula C44H64O24
Mw 976.37875298
CAS RN 879562-22-8
C_ID C00034831 ,
InChIKey YOJIRWNGIVNEKQ-JAFASYEUNA-N
InChICode InChI=1S/C44H64O24/c1-6-20-22(25(39(57)59-4)16-63-41(20)67-43-37(55)35(53)33(51)28(12-46)65-43)9-30(49)61-14-19(11-45)32-24(18(3)8-27(32)48)15-62-31(50)10-23-21(7-2)42(64-17-26(23)40(58)60-5)68-44-38(56)36(54)34(52)29(13-47)66-44/h6-7,16-19,22-24,27-29,32-38,41-48,51-56H,8-15H2,1-5H3/b20-6+,21-7+/t18-,19+,22-,23-,24+,27-,28+,29+,32-,33+,34+,35-,36-,37+,38+,41-,42-,43-,44-/m0/s1
SMILES C1[C@@H]([C@H]([C@@H]([C@H]1C)COC(=O)C[C@@H]1C(=CO[C@H](/C/1=C/C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C(=O)OC)[C@@H](COC(=O)C[C@H]1/C(=C\C)/[C@@H](OC=C1C(=O)OC)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)CO)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOleaceaeJasminum abyssinicum Ref.
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OrganismJasminum abyssinicum
ReferenceGallo,Phytochem.,67,(2006),504