KNApSAcK Metabolite Information

input word = C00003039

Metabolite Information

Structural formula

Name

Cuminal
Cumin aldehyde
4-Isopropyl benzaldehyde
Cuminaldehyde
Cuminyl aldehyde
Cumaldehyde

Formula

C10H12O

148.08881501

CAS RN

122-03-2

C_ID

C00003039 ,

InChIKey

WTWBUQJHJGUZCY-UHFFFAOYSA-N

InChICode

InChI=1S/C10H12O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-8H,1-2H3

SMILES

CC(C)c1ccc(C=O)cc1

Start Substs in Alk. Biosynthesis (Prediction)

Organism

Kingdom	Family	Species	Reference
Animalia	Hominidae	Homo sapiens (Urine)	Ref.
Plantae	Anacardiaceae	Mangifera indica	Ref.
Plantae	Apiaceae	Carum carvi	Ref.
Plantae	Apiaceae	Cicuta virosa	Ref.
Plantae	Apiaceae	Cuminum cyminum L.	Ref.
Plantae	Apiaceae	Foeniculum vulgare	Ref.
Plantae	Araliaceae	Panax ginseng	Ref.
Plantae	Asteraceae	Artemisia annua	Ref.
Plantae	Asteraceae	Conyza newii	Ref.
Plantae	Asteraceae	Cyathocline purpurea	Ref.
Plantae	Asteraceae	Tanacetum macrophyllum	Ref.
Plantae	Burseraceae	Commiphora abyssinica	Ref.
Plantae	Burseraceae	Commiphora myrrha	Ref.
Plantae	Crassulaceae	Rhodiola rosea L.	Ref.
Plantae	Cyperaceae	Cyperus rotundus L.	Ref.
Plantae	Fabaceae	Cassia fistula	Ref.
Plantae	Labiatae	Clinopodium nepeta	Ref.
Plantae	Labiatae	Lavandula angustifolia	Ref.
Plantae	Labiatae	Lavandula dentata	Ref.
Plantae	Labiatae	Plectranthus marrubioides	Ref.
Plantae	Myrtaceae	Eucalyptus globulus	Ref.
Plantae	Myrtaceae	Eucalyptus tereticornis	Ref.
Plantae	Rutaceae	Citrus sinensis	Ref.
Plantae	Rutaceae	Clausena excavata	Ref.
Plantae	Solanaceae	Nicotiana tabacum	Ref.

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Organism	Cicuta virosa
Reference	Sun, et al., Brief Handbook of Natural Active Compounds, Medicinal Science and Technology Press of China, Beijing, (1998). Edited by Jiangsu New Medicinal College, Chinese Medicine Dictionary, Shanghai Science and technology Press, Shanghai, (1979).