(Q27122254)

CHEBI:50943 (English)

6 October 2016

chemical formula

C₂₁H₁₈O₇

1 reference

CHEBI:50943 (English)

6 October 2016

canonical SMILES

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

1 reference

CHEBI:50943 (English)

6 October 2016

isomeric SMILES

C/C=C/C1=CC2=CC(=O)C(C(=O)C2=CO1)(C)OC(=O)C3=C(C=C(C=C3C)O)O

1 reference

CHEBI:50943 (English)

InChI=1S/C21H18O7/c1-4-5-14-7-12-8-17(24)21(3,19(25)15(12)10-27-14)28-20(26)18-11(2)6-13(22)9-16(18)23/h4-10,22-23H,1-3H3/b5-4+

6 October 2016

Identifiers

InChI

1 reference

CHEBI:50943 (English)

ZLULUXWJVBHEMS-SNAWJCMRSA-N

6 October 2016

InChIKey

2 references

CHEBI:50943 (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

7-Methyl-6,8-dioxo-3-[(1E)-1-propen-1-yl]-7,8-dihydro-6H-isochromen-7-yl 2,4-dihydroxy-6-methylbenzoate (English)

6 October 2016

2 references

CHEBI:50943 (English)

matched by identifier from

6 October 2016

InChIKey

ZLULUXWJVBHEMS-SNAWJCMRSA-N

Reaxys registry number

1299673

1 reference

mitorubrin (English)

6 October 2016

mapping relation type

2 references

mitorubrin (English)

matched by identifier from

6 October 2016

International Chemical Identifier

InChI

InChI=1S/C21H18O7/c1-4-5-14-7-12-8-17(24)21(3,19(25)15(12)10-27-14)28-20(26)18-11(2)6-13(22)9-16(18)23/h4-10,22-23H,1-3H3/b5-4+

1 reference