input word = C00037587

Metabolite InformationStructural formula
Name Orobanchol
(+)-Orobanchol
Formula C19H22O6
Mw 346.14163844
CAS RN 220493-65-2
C_ID C00037587 ,
InChIKey CDBBMEYPRMUMTR-CKKRLYEPNA-N
InChICode InChI=1S/C19H22O6/c1-9-7-12(24-17(9)21)23-8-11-13-15(20)10-5-4-6-19(2,3)14(10)16(13)25-18(11)22/h7-8,12-13,15-16,20H,4-6H2,1-3H3/b11-8+/t12-,13+,15-,16+/m1/s1
SMILES C12=C([C@@H]3[C@H]([C@@H]1O)/C(=C\O[C@@H]1OC(=O)C(=C1)C)/C(=O)O3)C(CCC2)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHelianthus annuus Ref.
PlantaeFabaceaeTrifolium pratense Ref.
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OrganismHelianthus annuus
ReferenceBharti, N. et al., Plant Sig. Behav., 10, (2015), e1049792.