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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 > fatty alcohol > long-chain fatty alcohol > marinisporolide a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > alcohol > fatty alcohol > long-chain fatty alcohol > marinisporolide a
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > fatty alcohol > long-chain fatty alcohol > marinisporolide a

Preferred term

marinisporolide a  

Type

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

Broader concept

charge

  • 0

formula

  • C39H62O10

inchi

  • InChI=1S/C39H62O10/c1-26(2)38(47)28(4)37(46)23-32(43)20-31(42)19-30(41)16-14-18-36-22-34(45)25-39(49-36)24-33(44)21-35(48-39)17-13-11-9-7-6-8-10-12-15-27(3)29(5)40/h6-15,18,26,28,30-38,41-47H,16-17,19-25H2,1-5H3/b8-6+,9-7+,12-10+,13-11+,18-14+,27-15+/t28-,30+,31+,32-,33-,34+,35+,36?,37-,38-,39+/m0/s1

inchikey

  • QAKIWUJBGBNYFP-NFGCWHTNSA-N

mass

  • 690.915

monoisotopicmass

  • 690.43430

smiles

  • O=C(/C(=C/C=C/C=C/C=C/C=C/C[C@H]1O[C@@]2(OC(/C=C/C[C@@H](O)C[C@@H](O)C[C@H](O)C[C@H](O)[C@@H]([C@@H](O)C(C)C)C)C[C@H](C2)O)C[C@H](C1)O)/C)C

subset

  • 2_STAR

synonym EXACT

  • (3E,5E,7E,9E,11E)-13-[(4R,6R,8R,10S)-4,10-dihydroxy-2-[(E,4R,6R,8S,10S,11S,12S)-4,6,8,10,12-pentahydroxy-11,13-dimethyltetradec-1-enyl]-1,7-dioxaspiro[5.5]undecan-8-yl]-3-methyltrideca-3,5,7,9,11-pentaen-2-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:198066

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