KNApSAcK Metabolite Information

input word = C00030757

Metabolite Information

Structural formula

Name

Linoleic acid, methyl ester
Methyl linoleate
Methyl 9Z,12Z-octadecadienoate

Formula

C19H34O2

294.25588033

CAS RN

112-63-0

C_ID

C00030757 ,

InChIKey

WTTJVINHCBCLGX-NQLNTKRDSA-N

InChICode

InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7-,11-10-

SMILES

CCCCC/C=CC/C=CCCCCCCCC(=O)OC

Start Substs in Alk. Biosynthesis (Prediction)

Organism

Kingdom	Family	Species	Reference
Plantae	--	Lonicera japonica	Ref.
Plantae	Acoraceae	Acorus calanus L.	Ref.
Plantae	Anacardiaceae	Mangifera indica	Ref.
Plantae	Apiaceae	Apium graveolens	Ref.
Plantae	Apiaceae	Ligusticum chuanxiong	Ref.
Plantae	Asteraceae	Centaurea atropurpurea	Ref.
Plantae	Asteraceae	Centaurea orientalis	Ref.
Plantae	Asteraceae	Serratula wolfi	Ref.
Plantae	Boraginaceae	Lithospermum erythrorhizon	Ref.
Plantae	Caricaceae	Carica papaya	Ref.
Plantae	Cornaceae/Aucubaceae/Garryaceae/Helwingiaceae	Cornus officinalis	Ref.
Plantae	Cruciferae	Brassica hirta	Ref.
Plantae	Fabaceae	Sophora japonica	Ref.
Plantae	Lauraceae	Beilschmiedia erythrophloia	Ref.
Plantae	Meliaceae	Azadirachta indica	Ref.
Plantae	Oleaceae	Jasminum grandiflorum	Ref.
Plantae	Rutaceae	Murraya paniculata	Ref.
Plantae	Santalaceae	Santalum album	Ref.
Plantae	Solanaceae	Nicotiana tabacum	Ref.
Plantae	Solanaceae	Solanum tuberosum	Ref.
Plantae	Zingiberaceae	Kaempferia parviflora	Ref.
Plantae	Zingiberaceae	Zingiber officinale	Ref.

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Organism	Ligusticum chuanxiong
Reference	Yin, et al., Modern Study of Chinese Drugs and Clinical Applications (1), Xueyuan Press, Beijing, (1993). 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)