(Q110175183)

English

(1R,2S,6S,7S,8S,9S,12Z)-2-[(E)-hex-4-enoyl]-5,6,9-trihydroxy-12-(1-hydroxyhexa-2,4-dienylidene)-1,4,6,9-tetramethyltricyclo[6.2.2.02,7]dodec-4-ene-3,10,11-trione

chemical compound

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instance of

type of chemical entity

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subclass of

2-(hex-4-enoyl)-5,6,9-trihydroxy-12-(1-hydroxyhexa-2,4-dien-1-ylidene)-1,4,6,9-tetramethyltricyclo[6.2.2.0²,⁷]dodec-4-ene-3,10,11-trione

1 reference

based on heuristic

inferred from SMILES

2-(hex-4-enoyl)-5,6,9-trihydroxy-12-[(2E,4E)-1-hydroxyhexa-2,4-dien-1-ylidene]-1,4,6,9-tetramethyltricyclo[6.2.2.0²,⁷]dodec-4-ene-3,10,11-trione

1 reference

based on heuristic

inferred from SMILES

mass

498.225368048 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,2R,6R,7R,8R,9R,12Z)-2-[(E)-hex-4-enoyl]-5,6,9-trihydroxy-12-[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-1,4,6,9-tetramethyltricyclo[6.2.2.02,7]dodec-4-ene-3,10,11-trione

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,2S,6S,7S,8S,9S,12Z)-2-[(E)-hex-4-enoyl]-5,6,9-trihydroxy-12-[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-1,4,6,9-tetramethyltricyclo[6.2.2.02,7]dodec-4-ene-3,10,11-trione

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₈H₃₄O₈

0 references

canonical SMILES

O=C1C(=C(O)C(O)(C)C2C3C(=C(O)C=CC=CC)C(=O)C(C(=O)C3(O)C)(C)C12C(=O)CCC=CC)C

0 references

isomeric SMILES

CC=CC=C/C(O)=C1/C(=O)[C@]2(C)C(=O)[C@@](C)(O)[C@H]1[C@@H]1[C@](C)(O)C(O)=C(C)C(=O)[C@@]12C(=O)CC/C=C/C

0 references

found in taxon

Penicillium chrysogenum

1 reference

stated in

Sorbicillin Analogues and Related Dimeric Compounds fromPenicilliumnotatum

Penicillium notatum

1 reference

stated in

Sorbicillin Analogues and Related Dimeric Compounds fromPenicilliumnotatum

Identifiers

InChI

InChI=1S/C28H34O8/c1-7-9-11-13-16(29)18-19-20-27(6,36)21(31)15(3)22(32)28(20,17(30)14-12-10-8-2)25(4,23(18)33)24(34)26(19,5)35/h7-11,13,19-20,29,31,35-36H,12,14H2,1-6H3/b9-7?,10-8+,13-11?,18-16-/t19-,20-,25-,26+,27+,28-/m1/s1

0 references

InChIKey

ZXWVVZIMJSPORF-TUGRYGTCSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZXWVVZIMJSPORF-TUGRYGTCSA-N

(Q110175183)

(1R,2S,6S,7S,8S,9S,12Z)-2-[(E)-hex-4-enoyl]-5,6,9-trihydroxy-12-(1-hydroxyhexa-2,4-dienylidene)-1,4,6,9-tetramethyltricyclo[6.2.2.02,7]dodec-4-ene-3,10,11-trione

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