input word = C00002453

Metabolite InformationStructural formula
Name (+)-Byakangelicin
Byakangelicin
Formula C17H18O7
Mw 334.10525293
CAS RN 482-25-7
C_ID C00002453 ,
InChIKey PKRPFNXROFUNDE-LDGXTIHJNA-N
InChICode InChI=1S/C17H18O7/c1-17(2,20)11(18)8-23-16-14-10(6-7-22-14)13(21-3)9-4-5-12(19)24-15(9)16/h4-7,11,18,20H,8H2,1-3H3/t11-/m1/s1
SMILES c12c(c(c3c(c1OC)ccc(=O)o3)OC[C@H](C(C)(C)O)O)occ2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeAngelica dahurica var.dahurica Ref.
PlantaeApiaceaeAngelica glabra Ref.
PlantaeApiaceaeHeracleum asperum Ref.
PlantaeApiaceaeHeracleum granatense Ref.
PlantaeApiaceaeHeracleum moellendorffii Hance Ref.
PlantaeApiaceaeHeracleum moellendorffii Hance var.paucivitatum Ref.
PlantaeApiaceaeHeracleum ponticum Ref.
PlantaeApiaceaeHeracleum pyrenaicum Ref.
PlantaeApiaceaeHeracleum sphondylium Ref.
PlantaeApiaceaeHeracleum spp. Ref.
PlantaeApiaceaeHeracleum woroschiklowii Ref.
PlantaeApiaceaePeucedanum grande Ref.
PlantaeApiaceaePeucedanum stenocarpum Ref.
PlantaeApiaceaeSeseli webbii Cosson. Ref.
PlantaeMoraceaeDorstenia gigas Ref.
PlantaeRutaceaeCitrus spp. Ref.
PlantaeRutaceaeRuta chalepensis L. Ref.
PlantaeRutaceaeRuta graveolens Ref.
PlantaeRutaceaeRuta pinnata Ref.
--Cymopterus watsonii Ref.
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OrganismHeracleum pyrenaicum
ReferenceBan, et al., Planta Med, 69, (2003), 408.

Ahua, et al., Phytochemistry, 65, (2004), 963.

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

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

Ji, et al., Pharmacological Action and Application of Available Antitumor Composition of Traditional Chinese Medicine, Heilongjiang Science and technology Press, Heilongjiang, (1998).