input word = C00024213

Metabolite InformationStructural formula
Name Hydroxysafflor yellow A
Formula C27H32O16
Mw 612.16903498
CAS RN 78281-02-4
C_ID C00024213 ,
InChIKey LIPJRCGLQNIXGO-UXFVHHPRNA-N
InChICode InChI=1S/C27H32O16/c28-7-12-16(32)19(35)21(37)23(42-12)15-18(34)14(11(31)6-3-9-1-4-10(30)5-2-9)24(39)27(41,25(15)40)26-22(38)20(36)17(33)13(8-29)43-26/h1-6,12-13,16-17,19-23,26,28-30,32-33,35-41H,7-8H2/b6-3+/t12-,13-,16-,17-,19+,20+,21+,22+,23+,26-,27-/m1/s1
SMILES C1(=C([C@](C(=C(C1=O)C(=O)/C=C/c1ccc(cc1)O)O)([C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@@H]1O)CO)O)O)[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@@H]1O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCarthamus tinctorius L. Ref.
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OrganismCarthamus tinctorius L.
ReferenceMeselhy M.R.,Chem.Pharm.Bull.,41,(1993),1796-1802