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CHEBI:227516 - Spicarin C

ChEBI IDCHEBI:227516
ChEBI NameSpicarin C
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FormulaC31H32O15
Net Charge0
Average Mass644.582
Monoisotopic Mass644.17412
SMILESCO[C@H]1O[C@H]([C@@H]2OCc3c(C)c(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c32)c2c(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c(C)c21
InChIInChI=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
InChIKeyNUECMCRANXGGPO-NFWIRQETSA-N
ChEBI Ontology
Outgoing Relation(s)
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
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