input word = C00033763

Metabolite InformationStructural formula
Name Dentatin B
Formula C21H30O9
Mw 426.18898256
CAS RN 161168-02-1
C_ID C00033763 ,
InChIKey ALFNDZUCKXOXII-CVDDESPQNA-N
InChICode InChI=1S/C21H30O9/c1-7-4-11(23)15-9(3)20(27)30-19(15)14-8(2)12(5-10(7)14)28-21-18(26)17(25)16(24)13(6-22)29-21/h9-19,21-26H,1-2,4-6H2,3H3/t9-,10+,11-,12+,13-,14+,15-,16-,17+,18-,19-,21-/m1/s1
SMILES C=C1[C@@H]2[C@H]3OC(=O)[C@H](C)[C@@H]3[C@H](O)CC(=C)[C@@H]2C[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeIxeris dentata Nakai Ref.
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