aflatoxin B1 8,9-dihydrodiol (Q27123963)

(6aS,9aR)-8,9-dihydroxy-4-methoxy-2,3,6a,8,9,9a-hexahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione (English)

6 October 2016

chemical formula

C₁₇H₁₄O₈

1 reference

(6aS,9aR)-8,9-dihydroxy-4-methoxy-2,3,6a,8,9,9a-hexahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione (English)

6 October 2016

canonical SMILES

COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C5C(C(OC5OC4=C1)O)O

1 reference

(6aS,9aR)-8,9-dihydroxy-4-methoxy-2,3,6a,8,9,9a-hexahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione (English)

6 October 2016

isomeric SMILES

COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4[C@H]5[C@H](OC(C5O)O)OC4=C1

1 reference

(6aS,9aR)-8,9-dihydroxy-4-methoxy-2,3,6a,8,9,9a-hexahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione (English)

InChI=1S/C17H14O8/c1-22-7-4-8-11(12-13(19)16(21)25-17(12)23-8)14-10(7)5-2-3-6(18)9(5)15(20)24-14/h4,12-13,16-17,19,21H,2-3H2,1H3/t12-,13?,16?,17+/m1/s1

6 October 2016

Identifiers

InChI

1 reference

(6aS,9aR)-8,9-dihydroxy-4-methoxy-2,3,6a,8,9,9a-hexahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione (English)

JRZBEIPOZPNWID-MIOCFURKSA-N

6 October 2016

InChIKey

2 references

(6aS,9aR)-8,9-dihydroxy-4-methoxy-2,3,6a,8,9,9a-hexahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

aflatoxin B1 8,9-dihydrodiol (English)

6 October 2016

1 reference

(6aS,9aR)-8,9-Dihydroxy-4-methoxy-2,3,6a,8,9,9a-hexahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione (English)

6 October 2016

2 references

(6aS,9aR)-8,9-dihydroxy-4-methoxy-2,3,6a,8,9,9a-hexahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione (English)

matched by identifier from

6 October 2016

InChIKey

JRZBEIPOZPNWID-MIOCFURKSA-N

Reaxys registry number

8513204

1 reference

aflatoxin B1 8,9-dihydrodiol (English)

6 October 2016

ChEBI ID

53106

mapping relation type

2 references

aflatoxin B1 8,9-dihydrodiol (English)