Spectrum CCMSLIB00000851157 for NCGC00381326-01_C21H22O7_Benzoic acid, 2,4-dihydroxy-6-methyl-, 6,7,8,8a-tetrahydro-7-hydroxy-7-methyl-6-oxo-3-[(1E)-1-propen-1-yl]-1H-2-benzopyran-8-yl ester

Rating: (*)(*)(*)(*)(*)

Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
n/a
n/a
InChI=1S/C21H22O7/c1-4-5-14-7-12-8-17(24)21(3,26)19(15(12)10-27-14)28-20(25)18-11(2)6-13(22)9-16(18)23/h4-9,15,19,22-23,26H,10H2,1-3H3/b5-4+
C21H22O7
386.136553044
O=C(OC1C2C(=CC(=O)C1(O)C)C=C(OC2)C=CC)C=3C(O)=CC(O)=CC3C
HNVJWWBKFFDQAA-SNAWJCMRSA-N