(Q105329698)

English

[(3S,3'S,4'S,5'R,6'R)-3',4,5',6-tetrahydroxy-6'-(hydroxymethyl)spiro[1H-2-benzofuran-3,2'-oxane]-4'-yl] (2E,4E,7R,8Z,10Z,14S)-7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate

chemical compound

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instance of

type of chemical entity

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subclass of

(3'R,4'S,5'R,6'R)-3',5,5',7-tetrahydroxy-6'-(hydroxymethyl)-3H-spiro[2-benzofuran-1,2'-oxan]-4'-yl (2E,4E,8E,10E)-7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate

1 reference

based on heuristic

inferred from SMILES

mass

574.277797544 dalton

1 reference

1 reference

C₃₁H₄₂O₁₀

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canonical SMILES

O=C(OC1C(O)C(OC2(OCC=3C=C(O)C=C(O)C32)C1O)CO)C=CC=CCC(O)C(=CC=CCCC(C)CC)C

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isomeric SMILES

CC[C@H](C)CC/C=C\C=C(\C)[C@H](O)C/C=C/C=C/C(=O)O[C@@H]1[C@H](O)[C@@]2(OCc3cc(O)cc(O)c32)O[C@H](CO)[C@H]1O

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found in taxon

Arthrinium phaeospermum

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stated in

Papulacandins, a new family of antibiotics with antifungal activity. I. Fermentation, isolation, chemical and biological characterization of papulacandins A, B, C, D and E.

Arthrinium sphaerospermum

1 reference

stated in

Papulacandins, a new family of antibiotics with antifungal activity. I. Fermentation, isolation, chemical and biological characterization of papulacandins A, B, C, D and E.

Identifiers

InChI

InChI=1S/C31H42O10/c1-4-19(2)11-7-5-8-12-20(3)23(34)13-9-6-10-14-26(36)40-29-28(37)25(17-32)41-31(30(29)38)27-21(18-39-31)15-22(33)16-24(27)35/h5-6,8-10,12,14-16,19,23,25,28-30,32-35,37-38H,4,7,11,13,17-18H2,1-3H3/b8-5-,9-6+,14-10+,20-12-/t19-,23+,25+,28+,29-,30-,31-/m0/s1

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InChIKey

XKSZJTQIZHUMGA-WMHGEZCGSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XKSZJTQIZHUMGA-WMHGEZCGSA-N

1 reference

Natural Product Atlas ID

NPA021433

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

XKSZJTQIZHUMGA-WMHGEZCGSA-N

(Q105329698)

[(3S,3'S,4'S,5'R,6'R)-3',4,5',6-tetrahydroxy-6'-(hydroxymethyl)spiro[1H-2-benzofuran-3,2'-oxane]-4'-yl] (2E,4E,7R,8Z,10Z,14S)-7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate

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