CHEBI:94679 - (5R,5aS,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one

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ChEBI Name (5R,5aS,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one
ChEBI ID CHEBI:94679
Stars This entity has been manually annotated by a third party.
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Formula C22H22O8
Net Charge 0
Average Mass 414.406
Monoisotopic Mass 414.13147
InChI InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18-,19+,20+/m1/s1
InChIKey YJGVMLPVUAXIQN-YFMMTPMMSA-N
SMILES COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@@H](COC3=O)[C@H](C4=CC5=C(C=C24)OCO5)O
ChEBI Ontology
Outgoing (5R,5aS,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one (CHEBI:94679) is a furonaphthodioxole (CHEBI:50307)
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