input word = C00048439

Metabolite InformationStructural formula
Name Isovitexirone
Formula C27H42O7
Mw 478.2930537
CAS RN 160262-51-1
C_ID C00048439 ,
InChIKey IAPRWEBJOOXLAB-AXMCSMRNNA-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/h11,15,18-23,29-34H,1,6-10,12-13H2,2-5H3/t15-,18+,19-,20+,21-,22+,23+,24-,25+,26+,27+/m0/s1
SMILES C=C(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3[C@H](O)C[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeRhaponticum carthamoides Ref.
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