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Substance Name: Mollicellin J
RN: 1016605-31-4
UNII: 565OPL9D55
InChIKey: NKSQSZYYPUIJDD-UHFFFAOYSA-N

Molecular Formula

  • C21-H19-Cl-O6

Molecular Weight

  • 402.8281
 
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Names and Synonyms

Name of Substance

  • Mollicellin J

Synonyms

  • 11H-Dibenzo(b,E)(1,4)dioxepin-4-carboxaldehyde, 2-chloro-3,7-dihydroxy-1,9-dimethyl-8-(3-methyl-2-buten-1-yl)-11-oxo-
  • CID-24787300
  • Mollicellin J
  • UNII-565OPL9D55

Registry Numbers

CAS Registry Number

  • 1016605-31-4

FDA UNII

  • 565OPL9D55

System Generated Number

  • 1016605314

Structure Descriptors

InChI

1S/C21H19ClO6/c1-9(2)5-6-12-10(3)19-15(7-14(12)24)27-20-13(8-23)18(25)17(22)11(4)16(20)21(26)28-19/h5,7-8,24-25H,6H2,1-4H3

InChIKey

NKSQSZYYPUIJDD-UHFFFAOYSA-N

Smiles

Cc1c(c(cc2c1OC(=O)c3c(c(c(c(c3O2)C=O)O)Cl)C)O)CC=C(C)C