input word = C00013278

Metabolite InformationStructural formula
Name Diinsininol
[2R-(2alpha,8beta,14alpha)]-2,8-bis(3,4-dihydroxyphenyl)-11-(beta-D-glucopyranosyloxy)-2,3-dihydro-5,13-dihydroxy-8,14-methano-4H,14H-1-benzopyrano[7,8-d][1,3]benzodioxocin-4-one
Formula C36H32O16
Mw 720.16903498
CAS RN 176739-79-0
C_ID C00013278 ,
InChIKey DQBZPEAEXINSNR-QKWIWIJWNA-N
InChICode InChI=1S/C36H32O16/c37-12-27-31(45)32(46)33(47)35(50-27)48-15-7-21(42)28-16-11-36(51-25(28)8-15,14-2-4-18(39)20(41)6-14)52-26-10-23(44)30-22(43)9-24(49-34(30)29(16)26)13-1-3-17(38)19(40)5-13/h1-8,10,16,24,27,31-33,35,37-42,44-47H,9,11-12H2/t16-,24-,27-,31-,32+,33+,35-,36-/m1/s1
SMILES O=C1C[C@H](c2ccc(O)c(O)c2)Oc2c1c(O)cc1c2[C@@H]2C[C@@](c3ccc(O)c(O)c3)(Oc3cc(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)cc(O)c32)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBalanophoraceaeSarcophyte piriei Ref.
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