input word = C00036726

Metabolite InformationStructural formula
Name Angustifolin
(-)-Angustifolin
Formula C21H28O6
Mw 376.18858863
CAS RN 66548-01-4
C_ID C00036726 ,
InChIKey OCIBRRBOOBNKJY-HAHIBUIVNA-N
InChICode InChI=1S/C21H28O6/c1-11-12-7-13(22)14-20(10-27-18(24)21(14,8-12)16(11)23)6-4-5-19(2)9-26-17(25-3)15(19)20/h12-15,17,22H,1,4-10H2,2-3H3/t12-,13-,14+,15-,17+,19+,20-,21+/m1/s1
SMILES C1[C@H]2C(=C)C(=O)[C@@]3([C@@H]([C@@H]1O)[C@@]1(COC3=O)[C@H]3[C@@](CCC1)(CO[C@@H]3OC)C)C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon enanderianus Ref.
PlantaeLabiataeIsodon rubescens var.lushiensis Ref.
PlantaeRutaceaeDictamnus angustifolius Ref.
PlantaeRutaceaeRuta angustifolia Ref.
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OrganismRuta angustifolia
ReferenceBorges del Castillo,Phytochem.,25,(1986),2209