input word = C00011887

Metabolite InformationStructural formula
Name Tagitinin D
Tirotundin
Formula C19H28O6
Mw 352.18858863
CAS RN 56377-67-4
C_ID C00011887 ,
InChIKey VKWNXJLVNFOOOS-RZNZYTIVNA-N
InChICode InChI=1S/C19H28O6/c1-10(2)16(20)24-14-9-18(5)6-7-19(22,25-18)11(3)8-13-15(14)12(4)17(21)23-13/h10-11,13-15,22H,4,6-9H2,1-3,5H3/t11-,13+,14+,15-,18-,19+/m0/s1
SMILES [C@@]12([C@H](C[C@@H]3[C@@H]([C@@H](C[C@](CC1)(O2)C)OC(=O)C(C)C)C(=C)C(=O)O3)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeTithonia diversifolia Ref.
PlantaeAsteraceaeTithonia rotundifolia Ref.
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