KNApSAcK Metabolite Information

input word = C00003036

Metabolite Information

Structural formula

Name

cis-Citral
(Z)-Citral
beta-Citral
Neral
Citral Z

Formula

C10H16O

152.12011513

CAS RN

106-26-3

C_ID

C00003036 ,

InChIKey

WTEVQBCEXWBHNA-YFHOEESVSA-N

InChICode

InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7-

SMILES

CC(=CCC/C(=C\C=O)/C)C

Start Substs in Alk. Biosynthesis (Prediction)

Organism

Kingdom	Family	Species	Reference
Plantae	Annonaceae	Xylopia sericea	Ref.
Plantae	Asteraceae	Conyza newii	Ref.
Plantae	Asteraceae	Senecio vulgaris	Ref.
Plantae	Crassulaceae	Rhodiola rosea L.	Ref.
Plantae	Geraniaceae	Pelargonium graveolens	Ref.
Plantae	Labiatae	Dracocephalum kotschyi	Ref.
Plantae	Labiatae	Lavandula canarien-sis	Ref.
Plantae	Labiatae	Melissa officinalis	Ref.
Plantae	Lauraceae	Litsea cubeba	Ref.
Plantae	Lauraceae	Litsea verbena	Ref.
Plantae	Myrtaceae	Acca sellowiana	Ref.
Plantae	Myrtaceae	Eucalyptus gomphocephala	Ref.
Plantae	Piperaceae	Piper cubeba	Ref.
Plantae	Piperaceae	Piper fimbriulatum	Ref.
Plantae	Poaceae	Cymbopogon citratus	Ref.
Plantae	Poaceae	Cymbopogon flexuosus	Ref.
Plantae	Rutaceae	Citrus latifolia	Ref.
Plantae	Rutaceae	Citrus limon	Ref.
Plantae	Rutaceae	Citrus medica	Ref.
Plantae	Rutaceae	Citrus reticulata	Ref.
Plantae	Rutaceae	Citrus reticulate x Citrus sinensis	Ref.
Plantae	Rutaceae	Citrus sinensis	Ref.
Plantae	Solanaceae	Nicotiana benthamiana	Ref.
Plantae	Solanaceae	Nicotiana tobacum	Ref.
Plantae	Verbenaceae	Verbena triphylla	Ref.
Plantae	Zingiberaceae	Curcuma amanda Roxb	Ref.
Plantae	Zingiberaceae	Curcuma mangga	Ref.
Plantae	Zingiberaceae	Zingiber officinale	Ref.

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Organism	Piper cubeba
Reference	Ou, et al., Brief Handbook of Components of Traditional Chinese Medicines, The People's Medical Publishing House, Beijing, (2003). Saeidnia, et al., Chem Pharm Bull, 52, (2004), 1249. Yin, et al., Modern Study of Chinese Drugs and Clinical Applications (1), Xueyuan Press, Beijing, (1993).