(Q27108226)

2-{3-Benzoyl-2,6-dihydroxy-4-[(3-methyl-2-buten-1-yl)oxy]benzyl}-3,5-dihydroxy-6-isobutyryl-4,4-dimethyl-2,5-cyclohexadien-1-one (English)

5 October 2016

chemical formula

C₃₁H₃₄O₈

0 references

canonical SMILES

CC(C)=CCOC=1C=C(C(CC=2C(C(C(C(C)C)=O)=C(C(C)(C)C2O)O)=O)=C(C1C(C3=CC=CC=C3)=O)O)O

1 reference

X-Ray crystal structure of sarothralin, a novel antibiotic compound from Hypericum japonicum

Sarothralin (English)

5 October 2016

1 reference

Identifiers

InChI

InChI=1S/C31H34O8/c1-16(2)12-13-39-22-15-21(32)19(27(35)23(22)26(34)18-10-8-7-9-11-18)14-20-28(36)24(25(33)17(3)4)30(38)31(5,6)29(20)37/h7-12,15,17,32,35,37-38H,13-14H2,1-6H3

1 reference

Sarothralin (English)

FWISFRPDKDPZRN-UHFFFAOYSA-N

5 October 2016

InChIKey

2 references

Sarothralin (English)

5 October 2016

stated in

ChEBI release 2020-09-01

2 references

https://commonchemistry.cas.org/detail?cas_rn=96624-40-7

Sarothralin (English)

5 October 2016

6 April 2021

InChIKey

FWISFRPDKDPZRN-UHFFFAOYSA-N

1 reference

2-{3-Benzoyl-2,6-dihydroxy-4-[(3-methyl-2-buten-1-yl)oxy]benzyl}-3,5-dihydroxy-6-isobutyryl-4,4-dimethyl-2,5-cyclohexadien-1-one (English)

5 October 2016

ChEBI ID

9035

mapping relation type

2 references

Sarothralin (English)

matched by identifier from

5 October 2016

International Chemical Identifier

InChI

InChI=1S/C31H34O8/c1-16(2)12-13-39-22-15-21(32)19(27(35)23(22)26(34)18-10-8-7-9-11-18)14-20-28(36)24(25(33)17(3)4)30(38)31(5,6)29(20)37/h7-12,15,17,32,35,37-38H,13-14H2,1-6H3

DSSTox substance ID

DTXSID40326630

0 references

DSSTOX compound identifier

0 references

3 references

Sarothralin (English)

matched by identifier from

5 October 2016

based on heuristic

inferred from InChIKey

InChIKey

FWISFRPDKDPZRN-UHFFFAOYSA-N

1 reference

Sarothralin (English)