input word = C00057727

Metabolite InformationStructural formula
Name Shihulimonin A
Formula C26H30O10
Mw 502.18389718
CAS RN 99026-99-0
C_ID C00057727
InChIKey RTPPVNISJHFPFX-PEVOZZQFSA-N
InChICode InChI=1S/C26H30O10/c1-22(2)13-8-14(27)24(4)12(25(13)10-32-16(28)9-15(25)35-22)5-6-23(3)18(11-7-17(29)33-20(11)30)34-21(31)19-26(23,24)36-19/h7,12-13,15,18-20,30H,5-6,8-10H2,1-4H3/t12-,13-,15-,18-,19+,20?,23-,24-,25+,26+/m0/s1
SMILES O=C(C1)OC[C@@]([C@@]2([H])C3)([C@@]1([H])OC2(C)C)[C@@]([C@@]4(C)C3=O)([H])CC[C@@]([C@@]54[C@]6([H])O5)(C)[C@@](C(C(O)O7)=CC7=O)([H])OC6=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus spp. Ref.
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