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2-[(1S,3R)-1-methyl-9-oxidanyl-5,10-bis(oxidanylidene)-3,4-dihydro-1H-benzo[g]isochromen-3-yl]ethanoic acid
SpectraBase Compound ID D6w0hgGF18S
InChI InChI=1S/C16H14O6/c1-7-13-10(5-8(22-7)6-12(18)19)15(20)9-3-2-4-11(17)14(9)16(13)21/h2-4,7-8,17H,5-6H2,1H3,(H,18,19)/t7-,8+/m0/s1
InChIKey ZCJHPTKRISJQTN-JGVFFNPUSA-N
Mol Weight 302.28 g/mol
Molecular Formula C16H14O6
Exact Mass 302.079038 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3quDZFZWNs
Name 2-[(1S,3R)-1-methyl-9-oxidanyl-5,10-bis(oxidanylidene)-3,4-dihydro-1H-benzo[g]isochromen-3-yl]ethanoic acid
CAS Registry Number 73804-47-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14O6
InChI InChI=1S/C16H14O6/c1-7-13-10(5-8(22-7)6-12(18)19)15(20)9-3-2-4-11(17)14(9)16(13)21/h2-4,7-8,17H,5-6H2,1H3,(H,18,19)/t7-,8+/m0/s1
InChIKey ZCJHPTKRISJQTN-JGVFFNPUSA-N
Molecular Weight 302.282 g/mol
SMILES Oc1c2c(C(C3=C([C@@](O[C@@](CC(=O)O)(C3)[H])(C)[H])C2=O)=O)ccc1
SPLASH splash10-06rt-0190000000-a87447792e04ecf4d1b7
Source of Spectrum J-51-357-3
Synonyms 2-[(1S,3R)-9-hydroxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetic acid 2-[(1S,3R)-9-hydroxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g][2]benzopyran-3-yl]acetic acid 2-[(1S,3R)-9-hydroxy-5,10-diketo-1-methyl-3,4-dihydro-1H-benz[g]isochromen-3-yl]acetic acid Nanomycin A [(1S,3R)-9-hydroxy-1-methyl-5,10-dioxo-3,4,5,10-tetrahydro-1H-naphtho[2,3-c]pyran-3-yl]acetic acid
Wiley ID 1304512