(Q105234299)

English

4-hydroxy-3-[(2R)-2-[(1R,2R,6S)-2-[(1E)-3-hydroxy-2-[(2S,3S,6R)-6-[(1E)-3-[(2S,5S)-5-[(1R)-1-methoxyethyl]oxolan-2-yl]prop-1-en-1-yl]-3-methyloxan-2-yl]prop-1-en-1-yl]-6-methylcyclohexyl]propanoyl]-5-methylidenefuran-2-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

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mass

586.35056856 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₅₀O₈

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canonical SMILES

O=C1OC(=C)C(O)=C1C(=O)C(C)C2C(C=C(CO)C3OC(C=CCC4OC(CC4)C(OC)C)CCC3C)CCCC2C

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isomeric SMILES

C=C1OC(=O)C(C(=O)[C@H](C)[C@@H]2[C@@H](C)CCC[C@H]2/C=C(\CO)[C@H]2O[C@@H](/C=C/C[C@@H]3CC[C@@H]([C@@H](C)OC)O3)CC[C@@H]2C)=C1O

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found in taxon

Streptomyces

1 reference

stated in

Tetronomycin, a novel polyether of unusual structure.

Identifiers

InChI

InChI=1S/C34H50O8/c1-19-9-7-10-24(29(19)21(3)31(36)30-32(37)23(5)40-34(30)38)17-25(18-35)33-20(2)13-14-27(42-33)12-8-11-26-15-16-28(41-26)22(4)39-6/h8,12,17,19-22,24,26-29,33,35,37H,5,7,9-11,13-16,18H2,1-4,6H3/b12-8+,25-17+/t19-,20-,21+,22+,24-,26+,27-,28-,29-,33-/m0/s1

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InChIKey

RDKPMGJEUBFWAE-OUIQBBCVSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RDKPMGJEUBFWAE-OUIQBBCVSA-N

ChEBI ID

220058

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C34H50O8/c1-19-9-7-10-24(29(19)21(3)31(36)30-32(37)23(5)40-34(30)38)17-25(18-35)33-20(2)13-14-27(42-33)12-8-11-26-15-16-28(41-26)22(4)39-6/h8,12,17,19-22,24,26-29,33,35,37H,5,7,9-11,13-16,18H2,1-4,6H3/b12-8+,25-17+/t19-,20-,21+,22+,24-,26+,27-,28-,29-,33-/m0/s1

1 reference

Natural Product Atlas ID

NPA020406

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

RDKPMGJEUBFWAE-OUIQBBCVSA-N

(Q105234299)

4-hydroxy-3-[(2R)-2-[(1R,2R,6S)-2-[(1E)-3-hydroxy-2-[(2S,3S,6R)-6-[(1E)-3-[(2S,5S)-5-[(1R)-1-methoxyethyl]oxolan-2-yl]prop-1-en-1-yl]-3-methyloxan-2-yl]prop-1-en-1-yl]-6-methylcyclohexyl]propanoyl]-5-methylidenefuran-2-one

Statements

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