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 c1(cc2c(c3c1C(=O)C[C@@H](O3)c1cc(c(cc1)O)O)[C@H]1c3c(O[C@](O2)(c2cc(c(cc2)O)O)C1)cc(cc3O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBalanophoraceaeSarcophyte piriei Ref.
zoom in