input word = C00064596

Metabolite InformationStructural formula
Name Safflamin C
Formula C30H30O14
Mw 614.16355567
CAS RN 873799-91-8
C_ID C00064596
InChIKey CYCRWWWXHMLPHW-MEUUTPLTSA-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/h1-10,17,19,23,25-26,29,31-33,37,39-43H,11-12H2,(H,35,36)/b10-3+/t17?,19-,23-,25+,26-,29-,30?/m1/s1
SMILES O=C(O)CC(C1=C(O)C(O)(C2OC(CO)C(O)C(O)C2O)C(O)=C(C(=O)C=Cc2ccc(O)cc2)C1=O)c1ccc(O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCarthamus tinctorius Ref.
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