CHEBI:227516 - Spicarin 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 Spicarin C
ChEBI ID CHEBI:227516
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H32O15
Net Charge 0
Average Mass 644.582
Monoisotopic Mass 644.17412
InChI InChI=1S/C31H32O15/c1-11-19-10-39-25(21(19)26(42-15(5)34)29(44-17(7)36)23(11)40-13(3)32)27-22-20(31(38-9)46-27)12(2)24(41-14(4)33)30(45-18(8)37)28(22)43-16(6)35/h25,27,31H,10H2,1-9H3/t25-,27+,31+/m1/s1
InChIKey NUECMCRANXGGPO-NFWIRQETSA-N
SMILES O=C(OC1=C(OC(=O)C)C(=C2[C@@H](OC)O[C@@H](C2=C1OC(=O)C)[C@@H]3OCC=4C3=C(OC(=O)C)C(OC(=O)C)=C(OC(=O)C)C4C)C)C
ChEBI Ontology
Outgoing Spicarin C (CHEBI:227516) has functional parent pentacarboxylic acid (CHEBI:35743)
Spicarin C (CHEBI:227516) is a organooxygen compound (CHEBI:36963)
IUPAC Name
[(1R)-6,7-diacetyloxy-4-methyl-1-[(1S,3S)-5,6,7-triacetyloxy-3-methoxy-4-methyl-1,3-dihydro-2-benzouran-1-yl]-1,3-dihydro-2-benzouran-5-yl] acetate
Manual Xref Database
40256737 ChemSpider
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