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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 > 2-hydroxycyslabdan a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > diterpenoid > 2-hydroxycyslabdan a

Preferred term

2-hydroxycyslabdan a  

Type

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

Broader concept

charge

  • 0

formula

  • C25H41NO6S

inchi

  • InChI=1S/C25H41NO6S/c1-7-15(2)8-9-19-24(6)12-17(28)11-23(4,5)20(24)10-21(29)25(19,32)14-33-13-18(22(30)31)26-16(3)27/h7-8,17-21,28-29,32H,1,9-14H2,2-6H3,(H,26,27)(H,30,31)/b15-8+/t17-,18-,19+,20-,21-,24+,25+/m0/s1

inchikey

  • PTRRHQHGAOYEKT-KYXZTKSHSA-N

mass

  • 483.660

monoisotopicmass

  • 483.26546

smiles

  • S(C[C@]1(O)[C@@H](O)C[C@H]2C(C[C@@H](C[C@@]2([C@H]1C/C=C(/C=C)/C)C)O)(C)C)C[C@H](NC(=O)C)C(=O)O

subset

  • 2_STAR

synonym EXACT

  • (2R)-3-[[(1R,2R,3S,4aS,7S,8aS)-2,3,7-trihydroxy-5,5,8a-trimethyl-1-[(2E)-3-methylpenta-2,4-dienyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-yl]methylsulanyl]-2-acetamidopropanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:211788

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