CHEBI:224791 - 4-epi-julichrome Q10.10C

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 4-epi-julichrome Q10.10C
ChEBI ID CHEBI:224791
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C34H30O10
Net Charge 0
Average Mass 598.604
Monoisotopic Mass 598.18390
InChI InChI=1S/C34H30O10/c1-13(35)28-18-10-15-8-9-17(30(40)22(15)31(41)25(18)20(38)11-33(28,3)43)23-16-6-5-7-19(37)24(16)32(42)26-21(39)12-34(4,44)29(14(2)36)27(23)26/h5-10,28-29,37,40-44H,11-12H2,1-4H3/t28-,29-,33-,34-/m0/s1
InChIKey WBKRJBUSPWORCN-DTBJPNGVSA-N
SMILES O=C1C2=C(O)C3=C(O)C=CC=C3C(=C2[C@H](C(=O)C)[C@](C1)(O)C)C4=C(O)C5=C(O)C6=C([C@H](C(=O)C)[C@](O)(C)CC6=O)C=C5C=C4
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing 4-epi-julichrome Q10.10C (CHEBI:224791) is a lignan (CHEBI:25036)
IUPAC Name
(3S,4S)-4-acetyl-7-[(1S,2S)-1-acetyl-2,5,10-trihydroxy-2-methyl-4-oxo-1,3-dihydroanthracen-9-yl]-3,8,9-trihydroxy-3-methyl-2,4-dihydroanthracen-1-one
Manual Xref Database
94269601 ChemSpider
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