input word = C00003723

Metabolite InformationStructural formula
Name Obacunone
Formula C26H30O7
Mw 454.19915331
CAS RN 751-03-1
C_ID C00003723 ,
InChIKey MAYJEFRPIKEYBL-ZOOANHJMNA-N
InChICode InChI=1S/C26H30O7/c1-22(2)16-12-17(27)25(5)15(23(16,3)9-7-18(28)32-22)6-10-24(4)19(14-8-11-30-13-14)31-21(29)20-26(24,25)33-20/h7-9,11,13,15-16,19-20H,6,10,12H2,1-5H3/t15-,16+,19+,20-,23-,24+,25+,26-/m1/s1
SMILES C1[C@H]2[C@@]([C@]34[C@@](C1)([C@@H](OC(=O)[C@H]3O4)c1cocc1)C)(C)C(=O)C[C@@H]1[C@@]2(C=CC(=O)OC1(C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeTrichilia trifolia Ref.
PlantaeRutaceaeCasimiroa edulis Ref.
PlantaeRutaceaeCitrus spp. Ref.
PlantaeRutaceaeCitrus sudachi Ref.
PlantaeRutaceaeCneorum tricoccum Ref.
PlantaeRutaceaeDictamnus dasycarpus Ref.
PlantaeRutaceaeDictamnus radicis Cortex Ref.
PlantaeRutaceaeFortunella margarit Ref.
PlantaeRutaceaeFortunella margarita Ref.
PlantaeRutaceaePhellodendron amurense Ref.
PlantaeSimaroubaceaeHarrisonia abyssinica Ref.
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OrganismPhellodendron amurense
ReferenceYin, et al., Modern Study of Chinese Drugs and Clinical Applications (1), Xueyuan Press, Beijing, (1993).

Sun, et al., Brief Handbook of Natural Active Compounds, Medicinal Science and Technology Press of China, Beijing, (1998).

Chinese Materia Medica Editing Committee of the National Chinese Medicine and Pharmacology Bureau, Chinese Materia Medica (ZHONG HUA BEN CAO), Vol.1-Vol.30, Shanghai Science and technology Press, Shanghai, (1999).

Buckingham(Executive Editor), Dictionary of Natural Products, Chapman & Hall, 1994, Vol1-7

1995, Vol8

1996, Vol9

1997, Vol10

1998, Vol11