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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 > lipid > fatty acid derivative > icosanoid > prostanoid > hirsutellone e

Preferred term

hirsutellone e  

Type

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

Broader concept

charge

  • 0

formula

  • C29H35NO4

inchi

  • InChI=1S/C29H35NO4/c1-3-4-18-8-12-20-22-13-16(2)5-11-21(22)27-25(20)24(18)26(31)23-15-29(33,30-28(23)32)14-17-6-9-19(34-27)10-7-17/h3-4,6-10,12,16,18,20-25,27,33H,5,11,13-15H2,1-2H3,(H,30,32)/b4-3-/t16-,18+,20+,21-,22+,23+,24+,25+,27+,29-/m1/s1

inchikey

  • BDMMASMTKZZIAT-FNUGVJIGSA-N

mass

  • 461.602

monoisotopicmass

  • 461.25661

smiles

  • O=C1[C@H]2[C@H](C=C[C@@H]3[C@@H]2[C@@H](OC4=CC=C(C[C@]5(C[C@@H]1C(=O)N5)O)C=C4)[C@@H]6CC[C@H](C[C@@H]36)C)/C=C/C

subset

  • 2_STAR

synonym EXACT

  • (3S,4R,7R,9S,10S,13S,14S,16S,19S,27S)-19-hydroxy-7-methyl-13-[(Z)-prop-1-enyl]-2-oxa-18-azahexacyclo[19.2.2.13,10.116,19.04,9.014,27]heptacosa-1(24),11,21(25),22-tetraene-15,17-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:213832

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