input word = C00003299

Metabolite InformationStructural formula
Name Schkuhrin I
Eucannabinolid
Eucannabinolide
Hiyodorilactone A
Formula C22H28O8
Mw 420.17841787
CAS RN 38458-58-1
C_ID C00003299 ,
InChIKey XYPJAWWDSQFSQA-JKHMUSMXNA-N
InChICode InChI=1S/C22H28O8/c1-12-5-6-17(28-15(4)25)13(2)10-19-20(14(3)21(26)29-19)18(9-12)30-22(27)16(11-24)7-8-23/h5,7,10,17-20,23-24H,3,6,8-9,11H2,1-2,4H3/b12-5+,13-10-,16-7+/t17-,18+,19-,20+/m0/s1
SMILES C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](OC(C)=O)C/C=C(C)C[C@@H](OC(=O)/C(=C/CO)CO)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEupatorium cannabinum Ref.
PlantaeAsteraceaeEupatorium glehnii Ref.
PlantaeAsteraceaeEupatorium sachalinense Ref.
PlantaeAsteraceaeSchkuhria pinnata Ref.
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OrganismEupatorium cannabinum
ReferencePettei,Heterocycles,11,(1978),471