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Chemistry, part 2

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > diterpenoid > penicixanthone g
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > diterpenoid > penicixanthone g

Preferred term

penicixanthone g  

Type

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

Broader concept

charge

  • 0

formula

  • C40H38O18

inchi

  • InChI=1S/C40H38O18/c1-37-25(31(49)33-39(3,57-33)35(37)53-21(43)13-11-19(41)51-5)29(47)23-17(55-37)9-7-15(27(23)45)16-8-10-18-24(28(16)46)30(48)26-32(50)34-40(4,58-34)36(38(26,2)56-18)54-22(44)14-12-20(42)52-6/h7-10,33-36,45-48H,11-14H2,1-6H3/t33-,34-,35-,36-,37-,38-,39-,40-/m1/s1

inchikey

  • USKSNXMEAKKDJL-CVOAXWMXSA-N

mass

  • 806.726

monoisotopicmass

  • 806.20581

smiles

  • O=C1C2=C(O)C3=C(O)C(C4=C(O)C=5C(O)=C6C(=O)[C@H]7O[C@@]7(C)[C@@H]([C@]6(C)OC5C=C4)OC(=O)CCC(=O)OC)=CC=C3O[C@]2([C@@H](OC(=O)CCC(=O)OC)[C@]8([C@@H]1O8)C)C

subset

  • 2_STAR

synonym EXACT

  • 4-O-[(1R,12S,14S,15R)-6-[(1R,12S,14S,15R)-7,9-dihydroxy-15-(4-methoxy-4-oxobutanoyl)oxy-1,14-dimethyl-11-oxo-2,13-dioxatetracyclo[8.5.0.03,8.012,14]pentadeca-3(8),4,6,9-tetraen-6-yl]-7,9-dihydroxy-1,14-dimethyl-11-oxo-2,13-dioxatetracyclo[8.5.0.03,8.012,14]pentadeca-3(8),4,6,9-tetraen-15-yl] 1-O-methyl butanedioate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:226201

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