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Concept information

organooxygen compound > ester > carboxylic ester > methyl ester > cis-heme d hydroxychlorin gamma-spirolactone methyl ester
organooxygen compound > carbonyl compound > carboxylic ester > methyl ester > cis-heme d hydroxychlorin gamma-spirolactone methyl ester
... > organooxygen compound > ester > carboxylic ester > lactone > gamma-lactone > cis-heme d hydroxychlorin gamma-spirolactone methyl ester
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > gamma-lactone > cis-heme d hydroxychlorin gamma-spirolactone methyl ester
organooxygen compound > ester > lactone > gamma-lactone > cis-heme d hydroxychlorin gamma-spirolactone methyl ester
organooxygen compound > oxacycle > lactone > gamma-lactone > cis-heme d hydroxychlorin gamma-spirolactone methyl ester
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > spiro compound > azaspiro compound > cis-heme d hydroxychlorin gamma-spirolactone methyl ester
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > spiro compound > oxaspiro compound > cis-heme d hydroxychlorin gamma-spirolactone methyl ester

Preferred term

cis-heme d hydroxychlorin gamma-spirolactone methyl ester  

Type

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

charge

  • 0

formula

  • C35H34FeN4O5

has_functional_parent

inchi

  • InChI=1S/C35H34N4O5.Fe/c1-8-21-18(3)24-14-25-20(5)23(10-11-32(40)43-7)29(38-25)17-31-35(13-12-33(41)44-35)34(6,42)30(39-31)16-28-22(9-2)19(4)26(37-28)15-27(21)36-24;/h8-9,14-17,42H,1-2,10-13H2,3-7H3;/q-2;+2/t34-,35+;/m0./s1

inchikey

  • HSOAODYTIXUNJD-PFHIRXQESA-N

mass

  • 646.51300

monoisotopicmass

  • 646.18786

smiles

  • COC(=O)CCc1c(C)c2=CC3=[N+]4C(=Cc5c(C)c(C=C)c6C=C7[N+]8=C(C=c1n2[Fe--]48n56)[C@]1(CCC(=O)O1)[C@@]7(C)O)C(C=C)=C3C

subset

  • 3_STAR

synonym EXACT

  • {methyl 3-[(2RS,5'SR)-9',14'-diethenyl-5'-hydroxy-5',10',15',19'-tetramethyl-5-oxo-4,5-dihydro-3H-spiro[furan-2,4'-[21,22,23,24]tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa[1,3(24),6,8,10,12,14,16(22),17,19]decaen]-20'-yl-kappa(4)N(21'),N(22'),N(23'),N(24')]propanoatato(2-)}iron

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:62810

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