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Chemistry, part 2

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > fatty acid > medium-chain fatty acid > cladobotric acid e
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > monocarboxylic acid > fatty acid > medium-chain fatty acid > cladobotric acid e
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > monocarboxylic acid > fatty acid > medium-chain fatty acid > cladobotric acid e
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic acid > carboxylic acid > monocarboxylic acid > fatty acid > medium-chain fatty acid > cladobotric acid e
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > fatty acid > medium-chain fatty acid > cladobotric acid e

Preferred term

cladobotric acid e  

Type

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

Broader concept

charge

  • 0

formula

  • C27H36O6

inchi

  • InChI=1S/C27H36O6/c1-6-17(2)24-26(4,33-24)27(31)18(3)15-20-16-19(25(30)32-5)13-14-21(20)22(27)11-9-7-8-10-12-23(28)29/h7-13,15,17,20-22,24,31H,6,14,16H2,1-5H3,(H,28,29)/b8-7+,11-9+,12-10+/t17-,20-,21-,22+,24-,26+,27+/m1/s1

inchikey

  • MKFMCRKTWMJGHB-HIIGJWGWSA-N

mass

  • 456.579

monoisotopicmass

  • 456.25119

smiles

  • O=C(OC)C1=CC[C@H]2[C@H](/C=C/C=C/C=C/C(=O)O)[C@](O)([C@]3(O[C@@H]3[C@@H](CC)C)C)C(=C[C@@H]2C1)C

subset

  • 2_STAR

synonym EXACT

  • (2E,4E,6E)-7-[(1S,2R,4aR,8aR)-2-[(2S,3R)-3-[(2R)-butan-2-yl]-2-methyloxiran-2-yl]-2-hydroxy-6-methoxycarbonyl-3-methyl-4a,5,8,8a-tetrahydro-1H-naphthalen-1-yl]hepta-2,4,6-trienoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:199403

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