input word = C00013288

Metabolite InformationStructural formula
Name Daphnodorin J
(2S)-[3,4,8,9-Tetrahydro-5-hydroxy-2,8-bis(4-hydroxyphenyl)-2H-furo[2,3-h]-1-benzopyran-9-yl](2,4,6-trihydroxyphenyl)methanone
Formula C30H24O9
Mw 528.14203237
CAS RN 190077-98-6
C_ID C00013288 ,
InChIKey IDZWLTFLDHIOQC-MHFIFSHUNA-N
InChICode InChI=1S/C30H24O9/c31-16-5-1-14(2-6-16)23-10-9-19-20(34)13-24-26(30(19)38-23)27(29(39-24)15-3-7-17(32)8-4-15)28(37)25-21(35)11-18(33)12-22(25)36/h1-8,11-13,23,27,29,31-36H,9-10H2/t23-,27+,29+/m0/s1
SMILES c1c(c2c(O[C@@H](CC2)c2ccc(cc2)O)c2c1O[C@H](c1ccc(cc1)O)[C@H]2C(=O)c1c(cc(cc1O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeThymelaeaceaeDaphne odora Ref.
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