input word = C00014529

Metabolite InformationStructural formula
Name Daphnodorin N
(4S,4aR,10aS,12R)-4,4a,13,14-Tetrahydro-4a,6,8-trihydroxy-4,12-bis(4-hydroxyphenyl)-1H,5H,12H-furo[3,4-b:2,3-h']bis[1]benzopyran-1,5-dione
Formula C30H22O10
Mw 542.12129692
CAS RN 215868-08-9
C_ID C00014529 ,
InChIKey IFZGJRYFZFWPHJ-FXCUWTTINA-N
InChICode InChI=1S/C30H22O10/c31-16-5-1-14(2-6-16)22-10-9-19-20(34)13-24-30(28(19)38-22)29(37,27(39-24)15-3-7-17(32)8-4-15)26(36)25-21(35)11-18(33)12-23(25)40-30/h1-8,11-13,22,27,31-33,35,37H,9-10H2/t22-,27+,29-,30+/m1/s1
SMILES [C@@H]1(CCC2=C(O1)[C@@]13C(=CC2=O)O[C@H]([C@@]1(C(=O)c1c(O3)cc(cc1O)O)O)c1ccc(cc1)O)c1ccc(cc1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeThymelaeaceaeDaphne acutiloba Ref.
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