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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 > acremeremophilane b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > sesquiterpenoid > acremeremophilane b

Preferred term

acremeremophilane b  

Type

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

Broader concept

charge

  • 0

formula

  • C21H26O5

inchi

  • InChI=1S/C21H26O5/c1-5-6-7-8-19(23)26-18-10-9-15-11-17(22)16(13(2)20(24)25)12-21(15,4)14(18)3/h5-6,9-11,14,16,18H,2,7-8,12H2,1,3-4H3,(H,24,25)/b6-5+/t14-,16-,18-,21+/m0/s1

inchikey

  • XTLWKIPRGWJGEX-QCPSKTABSA-N

mass

  • 358.434

monoisotopicmass

  • 358.17802

smiles

  • O=C1C=C2C=C[C@H](OC(=O)CC/C=C/C)[C@@H]([C@@]2(C)C[C@H]1C(C(=O)O)=C)C

subset

  • 2_STAR

synonym EXACT

  • 2-[(2S,7S,8R,8aR)-7-[(E)-hex-4-enoyl]oxy-8,8a-dimethyl-3-oxo-1,2,7,8-tetrahydronaphthalen-2-yl]prop-2-enoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:227473

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