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Chemistry, part 2

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Concept information

organooxygen compound > oxacycle > furopyran > neoabybetaomicin f
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > furopyran > neoabybetaomicin f
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > furopyran > neoabybetaomicin f
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > furopyran > neoabybetaomicin f
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > furopyran > neoabybetaomicin f
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > furopyran > neoabybetaomicin f
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > furopyran > neoabybetaomicin f

Preferred term

neoabybetaomicin f  

Type

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

Broader concept

charge

  • 0

formula

  • C38H46O12S

inchi

  • InChI=1S/C38H46O12S/c1-13-7-9-17(39)19-31(45)47-35-11-15(3)33(5)29(43)23(35)27(21(25(13)41)37(19,35)49-33)51-28-22-26(42)14(2)8-10-18(40)20-32(46)48-36-12-16(4)34(6,30(44)24(28)36)50-38(20,22)36/h13-16,21-24,27-30,39-40,43-44H,7-12H2,1-6H3/b19-17+,20-18+/t13-,14-,15-,16-,21+,22+,23-,24-,27+,28+,29-,30-,33-,34-,35-,36-,37-,38-/m0/s1

inchikey

  • COKOHIJJDUBFRH-PVCXGUDVSA-N

mass

  • 726.830

monoisotopicmass

  • 726.27100

smiles

  • S([C@@H]1[C@H]2C(=O)[C@H](CCC(=C3[C@]24O[C@@]5([C@H]([C@H]1[C@@]4(OC3=O)C[C@@H]5C)O)C)O)C)[C@@H]6[C@H]7C(=O)[C@H](CCC(=C8[C@]79O[C@@]%10([C@H]([C@H]6[C@@]9(OC8=O)C[C@@H]%10C)O)C)O)C

subset

  • 2_STAR

synonym EXACT

  • (1S,2S,3S,4S,5R,7S,10Z,14S,16S,18R)-4-[[(1S,2S,3S,4S,5R,7S,10Z,14S,16S,18R)-2,10-dihydroxy-1,7,16-trimethyl-6,12-dioxo-13,17-dioxapentacyclo[9.5.2.03,14.05,18.014,18]octadec-10-en-4-yl]sulanyl]-2,10-dihydroxy-1,7,16-trimethyl-13,17-dioxapentacyclo[9.5.2.03,14.05,18.014,18]octadec-10-ene-6,12-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:210194

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