CHEBI:201869 - 4'-Acetylchrysomycin C

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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'-Acetylchrysomycin C
ChEBI ID CHEBI:201869
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H32O10
Net Charge 0
Average Mass 552.576
Monoisotopic Mass 552.19955
InChI InChI=1S/C30H32O10/c1-7-15-10-18-22(20(11-15)36-5)17-12-21(37-6)24-19(32)9-8-16(23(24)25(17)40-29(18)34)26-27(33)30(4,35)28(13(2)38-26)39-14(3)31/h8-13,26-28,32-33,35H,7H2,1-6H3
InChIKey UEKURZCNWQBGRZ-UHFFFAOYSA-N
SMILES O=C1OC=2C=3C(C(OC)=CC2C4=C1C=C(CC)C=C4OC)=C(O)C=CC3C5OC(C(OC(=O)C)C(C5O)(O)C)C
ChEBI Ontology
Outgoing 4'-Acetylchrysomycin C (CHEBI:201869) is a diterpene lactone (CHEBI:49193)
IUPAC Name
[(2R,3S,4S,5S,6S)-6-(8-ethyl-1-hydroxy-10,12-dimethoxy-6-oxonaphtho[1,2-c]isochromen-4-yl)-4,5-dihydroxy-2,4-dimethyloxan-3-yl] acetate
Manual Xref Database
122899811 ChemSpider
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