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Chemistry, part 2

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Concept information

organooxygen compound > polyketide > angucycline > dehydroxyaquayamycin b
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > benzenoid aromatic compound > tetraphenes > angucycline > dehydroxyaquayamycin b
... > 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 > dehydroxyaquayamycin b
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > benzenoid aromatic compound > tetraphenes > angucycline > dehydroxyaquayamycin b
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > tetraphenes > angucycline > dehydroxyaquayamycin b
... > 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 > dehydroxyaquayamycin b
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > tetraphenes > angucycline > dehydroxyaquayamycin b

Preferred term

dehydroxyaquayamycin b  

Type

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

Broader concept

charge

  • 0

formula

  • C37H42O11

inchi

  • InChI=1S/C37H42O11/c1-16-13-20-5-6-22-32(31(20)25(39)14-16)35(42)23-8-7-21(34(41)33(23)36(22)43)28-15-26(40)37(19(4)44-28)48-30-12-10-27(18(3)46-30)47-29-11-9-24(38)17(2)45-29/h5-8,13-14,17-19,24,26-30,37-41H,9-12,15H2,1-4H3/t17-,18-,19+,24-,26+,27-,28+,29-,30-,37+/m0/s1

inchikey

  • CLHUYSRBASDRTG-HXVZGSLLSA-N

mass

  • 662.732

monoisotopicmass

  • 662.27271

smiles

  • O=C1C2=C(O)C(=CC=C2C(=O)C3=C1C=CC=4C3=C(O)C=C(C)C4)[C@@H]5O[C@@H]([C@@H](O[C@@H]6O[C@H]([C@@H](O[C@@H]7O[C@H]([C@@H](O)CC7)C)CC6)C)[C@@H](C5)O)C

subset

  • 2_STAR

synonym EXACT

  • 1,8-dihydroxy-9-[(2R,4R,5S,6R)-4-hydroxy-5-[(2S,5S,6S)-5-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-3-methylbenzo[a]anthracene-7,12-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:225864

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