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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > carbocyclic compound > carbopolycyclic compound > carbotricyclic compound > phenanthrenes > 6-methoxy-3,6a,9,10-tetrahydroxy-7,8-epoxy-4-oxo-4,5,6,6a,6b,7,8,9-octahydroperylene
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > carbocyclic compound > carbopolycyclic compound > carbotricyclic compound > phenanthrenes > 6-methoxy-3,6a,9,10-tetrahydroxy-7,8-epoxy-4-oxo-4,5,6,6a,6b,7,8,9-octahydroperylene
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > benzenoid aromatic compound > phenanthrenes > 6-methoxy-3,6a,9,10-tetrahydroxy-7,8-epoxy-4-oxo-4,5,6,6a,6b,7,8,9-octahydroperylene
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > benzenoid aromatic compound > phenanthrenes > 6-methoxy-3,6a,9,10-tetrahydroxy-7,8-epoxy-4-oxo-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 > phenanthrenes > 6-methoxy-3,6a,9,10-tetrahydroxy-7,8-epoxy-4-oxo-4,5,6,6a,6b,7,8,9-octahydroperylene
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > phenanthrenes > 6-methoxy-3,6a,9,10-tetrahydroxy-7,8-epoxy-4-oxo-4,5,6,6a,6b,7,8,9-octahydroperylene

Preferred term

6-methoxy-3,6a,9,10-tetrahydroxy-7,8-epoxy-4-oxo-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/c1-27-12-6-11(24)14-9(22)5-3-8-7-2-4-10(23)15-13(7)17(21(12,26)16(8)14)19-20(28-19)18(15)25/h2-5,12,17-20,22-23,25-26H,6H2,1H3/t12-,17+,18+,19+,20-,21+/m0/s1

inchikey

  • NVODHWKAAUNLFB-CMBVTXLXSA-N

mass

  • 382.368

monoisotopicmass

  • 382.10525

smiles

  • O=C1C2=C(O)C=CC3=C2[C@@](O)([C@H]4[C@H]5O[C@H]5[C@@H](C=6C4=C3C=CC6O)O)[C@H](C1)OC

subset

  • 2_STAR

synonym EXACT

  • (9S,10S,11R,12R,14S,15R)-5,10,15,17-tetrahydroxy-9-methoxy-13-oxahexacyclo[9.8.1.12,6.012,14.016,20.010,21]henicosa-1(20),2(21),3,5,16,18-hexaen-7-one

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:215984

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