input word = C00050543

Metabolite InformationStructural formula
Name Bruceine H
(-)-Yadanziolide A
Formula C20H26O10
Mw 426.15259705
CAS RN 95258-14-3
C_ID C00050543
InChIKey QXKKRGMRXXMDDP-JVDXBALSSA-N
InChICode InChI=1S/C20H26O10/c1-7-3-9(22)13(24)17(2)8(7)4-10-18-6-29-19(5-21,14(25)11(23)12(17)18)20(18,28)15(26)16(27)30-10/h3,8,10-15,21,23-26,28H,4-6H2,1-2H3/t8-,10+,11+,12+,13+,14-,15-,17-,18+,19+,20-/m0/s1
SMILES CC1=CC(=O)[C@@H](O)[C@]2(C)[C@H]3[C@@H](O)[C@H](O)[C@@]4(CO)OC[C@@]35[C@@H](C[C@@H]12)OC(=O)[C@H](O)[C@]54O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaeBrucea javanica Ref.
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OrganismBrucea javanica
ReferenceO'Neill, et al., Journal of Natural Products, 50, (1987), 41.

Ouyang, et al., Phytochemistry, 39, (1995), 911.

Konda, et al., Heterocycles, 38, (1994), 487.

Yoshimura, et al., Bull Chem Soc Jpn, 58, (1985), 2673.

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