input word = C00031659

Metabolite InformationStructural formula
Name Caudatin
Formula C28H42O7
Mw 490.2930537
CAS RN 38395-02-7
C_ID C00031659 ,
InChIKey VWLXIXALPNYWFH-XMGLUQJHNA-N
InChICode InChI=1S/C28H42O7/c1-16(2)17(3)13-23(31)35-22-15-21-24(5)9-8-20(30)14-19(24)7-10-27(21,33)28(34)12-11-26(32,18(4)29)25(22,28)6/h7,13,16,20-22,30,32-34H,8-12,14-15H2,1-6H3/b17-13+/t20-,21+,22+,24-,25+,26+,27-,28+/m0/s1
SMILES C1[C@@H](CC2=CC[C@@]3([C@@H]([C@]2(C1)C)C[C@H]([C@]1([C@@]3(CC[C@@]1(O)C(=O)C)O)C)OC(=O)/C=C(\C)/C(C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAraujia sericifera Ref.
PlantaeApocynaceaeCynanchum caudatum Max. Ref.
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OrganismAraujia sericifera
ReferenceWarashina,Chem.Pharm.Bull.,51,(2003),1036