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

Preferred term

agrocybone  

Type

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

Broader concept

charge

  • 0

formula

  • C30H36O5

inchi

  • InChI=1S/C30H36O5/c1-15-18-12-26(4,14-31)13-30(18)24(33)29(28(15)8-9-28)7-6-16-20-21(29)23(35-30)34-27(20,5)19-11-25(2,3)10-17(19)22(16)32/h10,19,21,23,31H,6-9,11-14H2,1-5H3/t19-,21+,23+,26-,27-,29+,30-/m1/s1

inchikey

  • AHANYUXVBOKBMV-MLHZPMGASA-N

mass

  • 476.613

monoisotopicmass

  • 476.25627

smiles

  • O=C1C2=C3[C@@](O[C@@H]4[C@H]3[C@]5(C(=O)[C@@]6(C(C[C@](C6)(CO)C)=C(C57CC7)C)O4)CC2)(C)[C@H]8C1=CC(C)(C)C8

subset

  • 2_STAR

synonym EXACT

  • (1R,3S,4R,6R,7R,16R,21R)-21-(hydroxymethyl)-6,9,9,18,21-pentamethylspiro[2,24-dioxaheptacyclo[14.6.1.13,6.01,19.04,16.05,13.07,11]tetracosa-5(13),10,18-triene-17,1'-cyclopropane]-12,23-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:227294

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