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

Preferred term

bicycloalternarene a  

Type

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

Broader concept

charge

  • 0

formula

  • C21H34O6

inchi

  • InChI=1S/C21H34O6/c1-13(2)6-5-10-20(3,25)17(23)9-11-21(4,26)18-12-14-16(27-18)8-7-15(22)19(14)24/h6,15,17-18,22-23,25-26H,5,7-12H2,1-4H3/t15-,17-,18+,20?,21?/m1/s1

inchikey

  • AVLXNKGSFZAMJF-ARWDWGKKSA-N

mass

  • 382.497

monoisotopicmass

  • 382.23554

smiles

  • O=C1C2=C(O[C@@H](C2)C(O)(CC[C@@H](O)C(O)(CCC=C(C)C)C)C)CC[C@H]1O

subset

  • 2_STAR

synonym EXACT

  • (2S,5R)-5-hydroxy-2-[(5R)-2,5,6-trihydroxy-6,10-dimethylundec-9-en-2-yl]-3,5,6,7-tetrahydro-2H-1-benzouran-4-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:201282

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