input word = C00033988

Metabolite InformationStructural formula
Name Ixerisoside M
Formula C30H38O12
Mw 590.23632668
CAS RN 132282-52-1
C_ID C00033988 ,
InChIKey CHNWGEHIJHDJER-VCWJQBGCNA-N
InChICode InChI=1S/C30H38O12/c1-14-18-9-10-30(2)21(41-28(38)19(33)11-15-3-6-17(32)7-4-15)8-5-16(22(30)26(18)42-27(14)37)13-39-29-25(36)24(35)23(34)20(12-31)40-29/h3-4,6-7,13,18-26,29,31-36H,1,5,8-12H2,2H3/b16-13+/t18-,19+,20-,21-,22-,23-,24+,25-,26+,29-,30+/m1/s1
SMILES C1C/C(=C\O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)/[C@H]2[C@]([C@@H]1OC(=O)[C@H](Cc1ccc(cc1)O)O)(CC[C@H]1[C@@H]2OC(=O)C1=C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeIxeris repens A.Gray Ref.
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