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Concept information

Preferred term

اکتینورودین (3)  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • -3

formula

  • C32H23O14

inchi

  • InChI=1S/C32H26O14/c1-9-21-15(3-11(45-9)5-19(35)36)29(41)23-17(33)7-13(27(39)25(23)31(21)43)14-8-18(34)24-26(28(14)40)32(44)22-10(2)46-12(6-20(37)38)4-16(22)30(24)42/h7-12,41-44H,3-6H2,1-2H3,(H,35,36)(H,37,38)/p-3/t9-,10-,11+,12+/m1/s1

inchikey

  • FXTIILIJTTYSLT-WYUUTHIRSA-K

is_conjugate_base_of

mass

  • 631.518

monoisotopicmass

  • 631.11043

smiles

  • C=1(C=2C(C3=C(C(C2)=O)C(=C4C(=C3[O-])[C@H](O[C@@H](C4)CC(=O)[O-])C)O)=O)C(=O)C5=C(C=6[C@H](O[C@@H](CC6C(=C5C(=O)C1)O)CC(=O)[O-])C)O

subset

  • 3_STAR

synonym EXACT

  • 2,2'-[(1R,1'R,3S,3'S)-5,5',10-trihydroxy-1,1'-dimethyl-10'-oxido-6,6',9,9'-tetraoxo[3,3',4,4',6,6',9,9'-octahydro-1H,1'H-8,8'-binaphtho[2,3-c]pyran]-3,3'-diyl]diacetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:91020

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