input word = C00033945

Metabolite InformationStructural formula
Name Hypochoeroside H
Formula C25H32O11
Mw 508.19446187
CAS RN 123693-92-5
C_ID C00033945 ,
InChIKey OCGBKDQMDPQPME-HEMWYJKTNA-N
InChICode InChI=1S/C25H32O11/c1-10(2)24(33)35-17-5-11(3)19-15(7-14(17)12(4)23(31)32)13(6-16(19)27)9-34-25-22(30)21(29)20(28)18(8-26)36-25/h6-7,11,14,17-22,25-26,28-30H,1,4-5,8-9H2,2-3H3,(H,31,32)/t11-,14+,17-,18+,19+,20+,21-,22+,25-/m0/s1
SMILES C12=C[C@@H]([C@H](C[C@@H]([C@H]1C(=O)C=C2CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)OC(=O)C(=C)C)C(=C)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHypochaeris radicata L. Ref.
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