input word = C00006418

Metabolite InformationStructural formula
Name Safflomin C
Formula C30H30O14
Mw 614.16355567
CAS RN 126093-98-9
C_ID C00006418 ,
InChIKey CCEKPTFNQKNHKZ-OJEQDJGUNA-N
InChICode InChI=1S/C30H30O14/c31-12-19-23(37)25(39)26(40)29(44-19)30(43)27(41)21(17(11-20(35)36)14-4-8-16(33)9-5-14)24(38)22(28(30)42)18(34)10-3-13-1-6-15(32)7-2-13/h1-10,17,19,23,25-26,29,31-33,37-41,43H,11-12H2,(H,35,36)/b10-3+/t17-,19-,23-,25-,26+,29+,30+/m0/s1
SMILES O=C(O)CC(C1=C(O)C(O)([C@@H]2OC(CO)[C@@H](O)C(O)[C@H]2O)C(=O)C(C(=O)/C=C/c2ccc(O)cc2)=C1O)c1ccc(O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCarthamus tinctorius Ref.
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