(Q27159274)

buddlenol A (English)

9 October 2016

chemical formula

C₃₁H₃₄O₁₁

1 reference

buddlenol A (English)

9 October 2016

canonical SMILES

COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C(=C3)OC)OC(CO)C(C4=CC(=C(C=C4)O)OC)O)OC)C=CC=O

1 reference

buddlenol A (English)

9 October 2016

isomeric SMILES

COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C(=C3)OC)OC(CO)C(C4=CC(=C(C=C4)O)OC)O)OC)/C=C/C=O

1 reference

buddlenol A (English)

InChI=1S/C31H34O11/c1-37-23-12-18(7-8-22(23)35)28(36)27(16-34)41-31-25(39-3)13-19(14-26(31)40-4)29-21(15-33)20-10-17(6-5-9-32)11-24(38-2)30(20)42-29/h5-14,21,27-29,33-36H,15-16H2,1-4H3/b6-5+

9 October 2016

Identifiers

InChI

1 reference

buddlenol A (English)

UYNCCRHOWNHDMT-AATRIKPKSA-N

9 October 2016

InChIKey

2 references

buddlenol A (English)

9 October 2016

stated in

ChEBI release 2020-09-01

2 references

buddlenol A (English)

matched by identifier from

9 October 2016

InChIKey

UYNCCRHOWNHDMT-AATRIKPKSA-N

Reaxys registry number

6554125

1 reference

buddlenol A (English)

9 October 2016

ChEBI ID

86592

mapping relation type

2 references

buddlenol A (English)