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Concept information

... > organooxygen compound > carbonyl compound > ketone > cyclic ketone > naphthalenone > 6-methoxy-3,6a,7,10-tetrahydroxy-4,9-dioxo-4,5,6,6a,6b,7,8,9-octahydroperylene
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > naphthalenone > 6-methoxy-3,6a,7,10-tetrahydroxy-4,9-dioxo-4,5,6,6a,6b,7,8,9-octahydroperylene
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > naphthalenes > naphthalenone > 6-methoxy-3,6a,7,10-tetrahydroxy-4,9-dioxo-4,5,6,6a,6b,7,8,9-octahydroperylene

Preferred term

6-methoxy-3,6a,7,10-tetrahydroxy-4,9-dioxo-4,5,6,6a,6b,7,8,9-octahydroperylene  

Type

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

Broader concept

charge

  • 0

formula

  • C21H18O7

inchi

  • InChI=1S/C21H18O7/c1-28-15-7-13(25)18-11(23)5-3-9-8-2-4-10(22)17-12(24)6-14(26)20(16(8)17)21(15,27)19(9)18/h2-5,14-15,20,22-23,26-27H,6-7H2,1H3/t14-,15+,20+,21-/m0/s1

inchikey

  • YPAHBOZUSRZWSW-RSMHBEIYSA-N

mass

  • 382.368

monoisotopicmass

  • 382.10525

smiles

  • O=C1C2=C(O)C=CC3=C2[C@](O)([C@@H]4[C@@H](O)CC(C=5C4=C3C=CC5O)=O)[C@@H](C1)OC

subset

  • 2_STAR

synonym EXACT

  • (1R,12S,12aS,12bR)-4,9,12,12b-tetrahydroxy-1-methoxy-2,11,12,12a-tetrahydro-1H-perylene-3,10-dione

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:198437

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