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Chemistry, part 2

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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 > sesquiterpenoid > eudesmane sesquiterpenoid > 2-[(2r,4as,8s,8as)-8-[2-[(4as,7r,8ar)-7-(1-carboxyethenyl)-1-hydroxy-4a-methyl-2-oxo-6,7,8,8a-tetrahydro-5h-naphthalen-1-yl]ethyl]-4a-methyl-7-oxo-1,2,3,4,8,8a-hexahydronaphthalen-2-yl]prop-2-enoic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > sesquiterpenoid > eudesmane sesquiterpenoid > 2-[(2r,4as,8s,8as)-8-[2-[(4as,7r,8ar)-7-(1-carboxyethenyl)-1-hydroxy-4a-methyl-2-oxo-6,7,8,8a-tetrahydro-5h-naphthalen-1-yl]ethyl]-4a-methyl-7-oxo-1,2,3,4,8,8a-hexahydronaphthalen-2-yl]prop-2-enoic acid

Preferred term

2-[(2r,4as,8s,8as)-8-[2-[(4as,7r,8ar)-7-(1-carboxyethenyl)-1-hydroxy-4a-methyl-2-oxo-6,7,8,8a-tetrahydro-5h-naphthalen-1-yl]ethyl]-4a-methyl-7-oxo-1,2,3,4,8,8a-hexahydronaphthalen-2-yl]prop-2-enoic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C30H38O7

inchi

  • InChI=1S/C30H38O7/c1-17(26(33)34)19-5-10-28(3)12-8-23(31)21(22(28)15-19)7-14-30(37)24-16-20(18(2)27(35)36)6-11-29(24,4)13-9-25(30)32/h8-9,12-13,19-22,24,37H,1-2,5-7,10-11,14-16H2,3-4H3,(H,33,34)(H,35,36)/t19-,20-,21+,22+,24-,28+,29+,30?/m1/s1

inchikey

  • BSSWIRVAMSGQMG-RTTXQYISSA-N

mass

  • 510.627

monoisotopicmass

  • 510.26175

smiles

  • OC1([C@]2([C@@](CC[C@H](C2)C(C(O)=O)=C)(C=CC1=O)C)[H])CC[C@H]3[C@]4([C@@](CC[C@H](C4)C(C(O)=O)=C)(C=CC3=O)C)[H]

subset

  • 2_STAR

synonym EXACT

  • 2-[(2R,4aS,8S,8aS)-8-[2-[(4aS,7R,8aR)-7-(1-carboxyethenyl)-1-hydroxy-4a-methyl-2-oxo-6,7,8,8a-tetrahydro-5H-naphthalen-1-yl]ethyl]-4a-methyl-7-oxo-1,2,3,4,8,8a-hexahydronaphthalen-2-yl]prop-2-enoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:183865

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