input word = C00021001

Metabolite InformationStructural formula
Name Ainsliaside A
Formula C30H34O11
Mw 570.21011193
CAS RN 93236-48-7
C_ID C00021001 ,
InChIKey XVWBUEBOHVMPCG-HIMCGQADNA-N
InChICode InChI=1S/C30H34O11/c1-13-4-7-17-14(2)29(37)41-27(17)24-15(3)21(11-18(13)24)38-30-28(26(36)25(35)22(12-31)39-30)40-23(34)9-6-16-5-8-19(32)20(33)10-16/h5-6,8-10,17-18,21-22,24-28,30-33,35-36H,1-4,7,11-12H2/b9-6+/t17-,18-,21-,22+,24?,25+,26-,27-,28+,30+/m0/s1
SMILES [C@@H]12[C@@H]([C@@H]3[C@@H](CCC1=C)C(=C)C(=O)O3)C(=C)[C@H](C2)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)OC(=O)/C=C/c1ccc(c(c1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAinsliaea acerifolia Ref.
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OrganismAinsliaea acerifolia
ReferenceMiyase,Chem. Pharm. Bull.,32,(1984),3043