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CHEBI:181301 - Sterekunthal B

ChEBI IDCHEBI:181301
ChEBI NameSterekunthal B
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FormulaC20H18O4
Net Charge0
Average Mass322.360
Monoisotopic Mass322.12051
SMILES[H][C@@]12C=C3C(=O)c4ccccc4C(=O)[C@@]34O[C@]1(C)CC[C@]2([H])[C@]4(C)C=O
InChIInChI=1S/C20H18O4/c1-18(10-21)13-7-8-19(2)14(13)9-15-16(22)11-5-3-4-6-12(11)17(23)20(15,18)24-19/h3-6,9-10,13-14H,7-8H2,1-2H3/t13-,14-,18-,19+,20-/m0/s1
InChIKeyNSNGIRMJTMEZBF-YJKZWKBDSA-N
ChEBI Ontology
Outgoing Relation(s)
Sterekunthal B (CHEBI:181301) is a anthraquinone (CHEBI:22580)
IUPAC Name 
(1S,12S,13S,16R,18S)-16,18-dimethyl-2,9-dioxo-17-oxapentacyclo[11.4.1.01,10.03,8.012,16]octadeca-3,5,7,10-tetraene-18-carbaldehyde
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