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Concept information

Preferred term

بروموفیلون A  

Type

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

Broader concept

charge

  • 0

formula

  • C33H35BrO13

inchi

  • InChI=1S/C33H35BrO13/c1-17(35)11-20(37)13-25(40)47-32(3)30(43)27(34)22-14-21(9-7-5-6-8-10-24(38)39)46-16-33(22,31(32)44)15-19-12-23(45-4)28(41)29(42)26(19)18(2)36/h5-10,12,14,17,20,35,37,41-42H,11,13,15-16H2,1-4H3,(H,38,39)/b6-5+,9-7+,10-8+/t17-,20-,32+,33+/m1/s1

inchikey

  • HZAFGTDVJZNBOD-UIRIXYAWSA-N

mass

  • 719.534

monoisotopicmass

  • 718.12610

smiles

  • BrC=1C(=O)[C@](OC(=O)C[C@H](O)C[C@H](O)C)(C(=O)[C@@]2(C1C=C(OC2)/C=C/C=C/C=C/C(=O)O)CC3=C(C(O)=C(O)C(=C3)OC)C(=O)C)C

subset

  • 2_STAR

synonym EXACT

  • (2E,4E,6E)-7-[(7R,8aR)-8a-[(2-acetyl-3,4-dihydroxy-5-methoxyphenyl)methyl]-5-bromo-7-[(3R,5R)-3,5-dihydroxyhexanoyl]oxy-7-methyl-6,8-dioxo-1H-isochromen-3-yl]hepta-2,4,6-trienoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:225234

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