input word = C00059607

Metabolite InformationStructural formula
Name Vitexirone
Formula C27H42O7
Mw 478.2930537
CAS RN 130369-79-8
C_ID C00059607
InChIKey KEADWWVWWCWINS-UKTRSHMFSA-N
InChICode InChI=1S/C27H42O7/c1-14(2)6-7-22(32)26(5,33)21-8-9-27(34)16-11-17(28)15-10-18(29)19(30)12-24(15,3)23(16)20(31)13-25(21,27)4/h6,11,15,18-23,29-34H,7-10,12-13H2,1-5H3/t15-,18+,19-,20+,21-,22+,23+,24-,25+,26+,27+/m0/s1
SMILES CC(C)=CCC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3C(O)CC12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeRhaponticum carthamoides Ref.
zoom in