input word = C00045054

Metabolite InformationStructural formula
Name Salaquinone A
(+)-Salaquinone A
Formula C28H34O5
Mw 450.2406242
CAS RN 612836-45-0
C_ID C00045054 ,
InChIKey HLWNXIBAWDHKMJ-OOGCCUMDNA-N
InChICode InChI=1S/C28H34O5/c1-14-11-20-26(4,24(33)22(14)31)13-21(30)28(6)19-8-7-16-15(2)23(32)18(29)12-17(16)25(19,3)9-10-27(20,28)5/h7-8,12,14,20,24,32-33H,9-11,13H2,1-6H3/t14-,20-,24-,25+,26-,27+,28+/m1/s1
SMILES CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@H](C)C(=O)[C@@H](O)[C@]3(C)CC(=O)[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeSalacia chinensis Ref.
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