input word = C00064411

Metabolite InformationStructural formula
Name Chlorogenin
Formula C27H44O4
Mw 432.32395989
CAS RN 562-34-5
C_ID C00064411
InChIKey PZNPHSFXILSZTM-JUGSJECZSA-N
InChICode InChI=1S/C27H44O4/c1-15-5-10-27(30-14-15)16(2)24-23(31-27)13-20-18-12-22(29)21-11-17(28)6-8-25(21,3)19(18)7-9-26(20,24)4/h15-24,28-29H,5-14H2,1-4H3/t15-,16+,17+,18-,19+,20+,21-,22+,23+,24+,25-,26+,27-/m1/s1
SMILES CC1CCC2(OC1)OC1CC3C4CC(O)C5CC(O)CCC5(C)C4CCC3(C)C1C2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZygophyllaceaeTribulus terrestris Ref.
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