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Chemistry, part 2

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Concept information

organooxygen compound > polyketide > angucycline > saquayamycin b1
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > benzenoid aromatic compound > tetraphenes > angucycline > saquayamycin b1
... > 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 aromatic compound > benzenoid aromatic compound > tetraphenes > angucycline > saquayamycin b1
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > benzenoid aromatic compound > tetraphenes > angucycline > saquayamycin b1
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > tetraphenes > angucycline > saquayamycin b1
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > tetraphenes > angucycline > saquayamycin b1
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > tetraphenes > angucycline > saquayamycin b1

Preferred term

saquayamycin b1  

Type

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

Broader concept

charge

  • 0

formula

  • C31H32O12

inchi

  • InChI=1S/C31H32O12/c1-12-17(32)8-20-28(41-12)43-27-13(2)40-18(9-19(27)42-20)14-4-5-15-22(24(14)34)25(35)16-6-7-30(38)11-29(3,37)10-21(33)31(30,39)23(16)26(15)36/h4-7,12-13,18-20,27-28,34,37-39H,8-11H2,1-3H3/t12-,13+,18+,19+,20-,27+,28-,29-,30-,31-/m0/s1

inchikey

  • CTSPXNCFVRSKKD-AYIWFLJGSA-N

mass

  • 596.585

monoisotopicmass

  • 596.18938

smiles

  • O=C1C2=C(O)C(=CC=C2C(=O)C3=C1C=C[C@]4([C@]3(O)C(=O)C[C@@](O)(C)C4)O)[C@@H]5O[C@@H]([C@H]6O[C@@H]7O[C@@H](C)C(C[C@@H]7O[C@@H]6C5)=O)C

subset

  • 2_STAR

synonym EXACT

  • (3R,4aR,12bS)-9-[(1R,3R,5S,8S,10R,12R,14R)-5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl]-3,4a,8,12b-tetrahydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:221973

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