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Colletotric acid
SpectraBase Compound ID CEmHsth9j10
InChI InChI=1S/C28H28O10/c1-11-8-17(29)9-18(30)21(11)27(34)38-25-15(5)22(14(4)24(36-7)16(25)6)28(35)37-20-10-19(31)23(26(32)33)13(3)12(20)2/h8-10,29-31H,1-7H3,(H,32,33)
InChIKey XCQZDTOTILKBSN-UHFFFAOYSA-N
Mol Weight 524.52 g/mol
Molecular Formula C28H28O10
Exact Mass 524.168247 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5YT0omAz4Jc
Name Colletotric acid
Alternate Name(s) 4-[3-methoxy-2,4,6-trimethyl-5-[2-methyl-4,6-bis(oxidanyl)phenyl]carbonyloxy-phenyl]carbonyloxy-2,3-dimethyl-6-oxidanyl-benzoic acid 4-[[3-[(2,4-dihydroxy-6-methylphenyl)-oxomethoxy]-5-methoxy-2,4,6-trimethylphenyl]-oxomethoxy]-6-hydroxy-2,3-dimethylbenzoic acid 4-[3-(2,4-dihydroxy-6-methylbenzoyl)oxy-5-methoxy-2,4,6-trimethylbenzoyl]oxy-6-hydroxy-2,3-dimethylbenzoic acid
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Formula C28H28O10
InChI InChI=1S/C28H28O10/c1-11-8-17(29)9-18(30)21(11)27(34)38-25-15(5)22(14(4)24(36-7)16(25)6)28(35)37-20-10-19(31)23(26(32)33)13(3)12(20)2/h8-10,29-31H,1-7H3,(H,32,33)
InChIKey XCQZDTOTILKBSN-UHFFFAOYSA-N
Molecular Weight 524.522 g/mol
SMILES Oc1c(c(c(c(OC(c2c(c(OC(c3c(cc(cc3C)O)O)=O)c(c(c2C)OC)C)C)=O)c1)C)C)C(=O)O
SPLASH splash10-006w-6900000000-896a2d3d76b85c4e23ad
Source of Spectrum G4-63-1530-1
Wiley ID 1608667