(Q110168464)

English

[(1S,2R,5R,6R,9R,10S)-8-formyl-6,10-dihydroxy-4,4-dimethyl-12-oxo-11-oxatetracyclo[7.3.1.01,9.02,6]tridec-7-en-5-yl] (E)-hex-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(2R,5R,6R,10S)-8-formyl-6,10-dihydroxy-4,4-dimethyl-12-oxo-11-oxatetracyclo[7.3.1.0¹,⁹.0²,⁶]tridec-7-en-5-yl (2E)-hex-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

390.167853172 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2R,5S,6R,9R,10R)-8-formyl-6,10-dihydroxy-4,4-dimethyl-12-oxo-11-oxatetracyclo[7.3.1.01,9.02,6]tridec-7-en-5-yl] (Z)-hex-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₆O₇

0 references

canonical SMILES

O=CC1=CC2(O)C(OC(=O)C=CCCC)C(C)(C)CC2C34C(=O)OC(O)C14C3

0 references

isomeric SMILES

CCC/C=C/C(=O)O[C@@H]1C(C)(C)C[C@H]2[C@]1(O)C=C(C=O)[C@]13C[C@]21C(=O)O[C@@H]3O

0 references

found in taxon

Flagelloscypha pilatii

1 reference

stated in

Antibiotics from basidiomycetes. XXIX: Pilatin, a new antibiotically active marasmane derivative from cultures of Flagelloscypha pilatii agerer.

Identifiers

InChI

InChI=1S/C21H26O7/c1-4-5-6-7-14(23)27-15-18(2,3)9-13-20-11-19(20,16(24)28-17(20)25)12(10-22)8-21(13,15)26/h6-8,10,13,15-16,24,26H,4-5,9,11H2,1-3H3/b7-6+/t13-,15-,16+,19+,20-,21-/m1/s1

0 references

InChIKey

FGNPPWFDUWSHQL-UPEPMZDMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FGNPPWFDUWSHQL-UPEPMZDMSA-N

ChEBI ID

226060

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C21H26O7/c1-4-5-6-7-14(23)27-15-18(2,3)9-13-20-11-19(20,16(24)28-17(20)25)12(10-22)8-21(13,15)26/h6-8,10,13,15-16,24,26H,4-5,9,11H2,1-3H3/b7-6+/t13-,15-,16+,19+,20-,21-/m1/s1

1 reference

Natural Product Atlas ID

NPA012819

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

FGNPPWFDUWSHQL-UPEPMZDMSA-N

(Q110168464)

[(1S,2R,5R,6R,9R,10S)-8-formyl-6,10-dihydroxy-4,4-dimethyl-12-oxo-11-oxatetracyclo[7.3.1.01,9.02,6]tridec-7-en-5-yl] (E)-hex-2-enoate

Statements

Identifiers

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