input word = C00011788

Metabolite InformationStructural formula
Name Hiyodorilactone D
Formula C22H28O8
Mw 420.17841787
CAS RN 72493-40-4
C_ID C00011788 ,
InChIKey XZKPJTYEMBUMKN-XFCWPUTINA-N
InChICode InChI=1S/C22H28O8/c1-12-5-6-17(25)13(2)10-19-20(14(3)21(26)29-19)18(9-12)30-22(27)16(11-23)7-8-28-15(4)24/h5,7,10,17-20,23,25H,3,6,8-9,11H2,1-2,4H3/b12-5+,13-10+,16-7+/t17-,18-,19+,20-/m1/s1
SMILES C\1(=C/C[C@H](/C(=C/[C@H]2[C@@H]([C@@H](C1)OC(=O)/C(=C/COC(=O)C)/CO)C(=C)C(=O)O2)/C)O)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEupatorium glehnii Ref.
PlantaeAsteraceaeEupatorium sachalinense Ref.
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