input word = C00009377

Metabolite InformationStructural formula
Name Stenophynin B
Formula C42H34O23
Mw 906.1490874
CAS RN 105330-41-4
C_ID C00009377 ,
InChIKey XFGRGGKIHLJZLI-MGAJLQIANA-N
InChICode InChI=1S/C42H34O23/c43-15-2-1-11(3-16(15)44)24-9-19(47)28-17(45)8-18(46)29(36(28)62-24)37-39-38(33(55)25(63-37)10-61-40(58)12-4-20(48)30(52)21(49)5-12)64-41(59)13-6-22(50)31(53)34(56)26(13)27-14(42(60)65-39)7-23(51)32(54)35(27)57/h1-8,19,24-25,33,37-39,43-57H,9-10H2/t19-,24+,25+,33+,37+,38-,39+/m0/s1
SMILES [C@@H]1([C@H]2[C@@H]([C@H](O[C@@H]1COC(=O)c1cc(c(c(c1)O)O)O)c1c(cc(c3c1O[C@H](C[C@@H]3O)c1ccc(c(c1)O)O)O)O)OC(=O)c1c(c3c(C(=O)O2)cc(c(c3O)O)O)c(c(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFagaceaeQuercus stenophylla Ref.
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