(Q27138355)

Comazaphilone E (English)

[(6R,7R)-7-hydroxy-7-methyl-8-oxo-3-prop-1-enyl-5,6-dihydro-1H-isochromen-6-yl] 3,4-dihydroxy-2-methoxy-6-methylbenzoate

7 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₂₄O₈

1 reference

Comazaphilone E (English)

7 October 2016

canonical SMILES

CC=CC1=CC2=C(CO1)C(=O)C(C(C2)OC(=O)C3=C(C(=C(C=C3C)O)O)OC)(C)O

1 reference

Comazaphilone E (English)

7 October 2016

isomeric SMILES

C/C=C/C1=CC2=C(CO1)C(=O)[C@]([C@@H](C2)OC(=O)C3=C(C(=C(C=C3C)O)O)OC)(C)O

1 reference

Comazaphilones A-F, azaphilone derivatives from the marine sediment-derived fungus Penicillium commune QSD-17.

Comazaphilone E (English)

7 October 2016

3 references

stated in

Comazaphilones A-F, azaphilone derivatives from the marine sediment-derived fungus Penicillium commune QSD-17.

stated in

Comazaphilones A-F, azaphilone derivatives from the marine sediment-derived fungus Penicillium commune QSD-17.

Identifiers

InChI

InChI=1S/C22H24O8/c1-5-6-13-8-12-9-16(22(3,27)20(25)14(12)10-29-13)30-21(26)17-11(2)7-15(23)18(24)19(17)28-4/h5-8,16,23-24,27H,9-10H2,1-4H3/b6-5+/t16-,22-/m1/s1

1 reference

Comazaphilone E (English)

VWYGBXGOGQHZHM-JBAXFHHXSA-N

7 October 2016

InChIKey

2 references

Comazaphilone E (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

comazaphilone E (English)

7 October 2016

2 references

Comazaphilone E (English)

matched by identifier from

7 October 2016

InChIKey

VWYGBXGOGQHZHM-JBAXFHHXSA-N

Reaxys registry number

21312867

1 reference

comazaphilone E (English)

7 October 2016

ChEBI ID

70014

mapping relation type

2 references

comazaphilone E (English)

matched by identifier from

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C22H24O8/c1-5-6-13-8-12-9-16(22(3,27)20(25)14(12)10-29-13)30-21(26)17-11(2)7-15(23)18(24)19(17)28-4/h5-8,16,23-24,27H,9-10H2,1-4H3/b6-5+/t16-,22-/m1/s1

1 reference