input word = C00042147

Metabolite InformationStructural formula
Name 5,5''-bis- [2,3-dicarboxy-6,7-dihydroxy-1-(3',4'-dihydroxyphenyl)-1,2-dihydronaphthalene]
(-)-5,5''-bis- [2,3-dicarboxy-6,7-dihydroxy-1-(3',4'-dihydroxyphenyl)-1,2-dihydronaphthalene]
Formula C36H26O16
Mw 714.12208479
CAS RN 217090-73-8
C_ID C00042147 ,
InChIKey XEIDYNIZTOEXSR-JXALSKIBNA-N
InChICode InChI=1S/C36H26O16/c37-19-3-1-11(5-21(19)39)25-15-9-23(41)31(43)27(13(15)7-17(33(45)46)29(25)35(49)50)28-14-8-18(34(47)48)30(36(51)52)26(16(14)10-24(42)32(28)44)12-2-4-20(38)22(40)6-12/h1-10,25-26,29-30,37-44H,(H,45,46)(H,47,48)(H,49,50)(H,51,52)/t25-,26+,29-,30+
SMILES O=C(O)C1=Cc2c(cc(O)c(O)c2-c2c(O)c(O)cc3c2C=C(C(=O)O)[C@H](C(=O)O)[C@H]3c2ccc(O)c(O)c2)[C@@H](c2ccc(O)c(O)c2)[C@@H]1C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLepidoziaceaeBazzania trilobata Ref.
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