(Q125617904)

English

(3S)-3,5,10-trihydroxy-9-[(2R,4S,5S,6R)-4-hydroxy-6-methyl-5-[(2S,5S,6S)-6-methyl-5-[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]-3-methyl-2,4-dihydrotetracene-1,6,11-trione

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instance of

type of chemical entity

0 references

subclass of

anthracycline polyketide

1 reference

based on heuristic

inferred from SMILES

mass

694.262541404 dalton

1 reference

1 reference

C₃₇H₄₂O₁₃

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canonical SMILES

O=C1C2=CC=C(C(O)=C2C(=O)C=3C=C4C(=O)CC(O)(C)CC4=C(O)C13)C5OC(C)C(OC6OC(C)C(OC7OC(C(=O)CC7)C)CC6)C(O)C5

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isomeric SMILES

C[C@@H]1O[C@@H](O[C@H]2CC[C@H](O[C@H]3[C@@H](O)C[C@H](c4ccc5c(c4O)C(=O)c4cc6c(c(O)c4C5=O)C[C@](C)(O)CC6=O)O[C@@H]3C)O[C@H]2C)CCC1=O

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found in taxon

Streptomyces

1 reference

stated in

Three novel members of angucycline group from Streptomyces sp. N05WA963

Identifiers

InChI

InChI=1S/C37H42O13/c1-15-23(38)7-9-28(47-15)49-26-8-10-29(48-16(26)2)50-36-17(3)46-27(12-24(36)39)18-5-6-19-30(32(18)41)34(43)21-11-20-22(35(44)31(21)33(19)42)13-37(4,45)14-25(20)40/h5-6,11,15-17,24,26-29,36,39,41,44-45H,7-10,12-14H2,1-4H3/t15-,16-,17+,24-,26-,27+,28-,29-,36+,37-/m0/s1

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InChIKey

UGSYIDUYORSPIX-XYRFGEEKSA-N

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2 references

26 April 2024

inferred from InChIKey

matched by identifier from

InChIKey

UGSYIDUYORSPIX-XYRFGEEKSA-N

(Q125617904)

(3S)-3,5,10-trihydroxy-9-[(2R,4S,5S,6R)-4-hydroxy-6-methyl-5-[(2S,5S,6S)-6-methyl-5-[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]-3-methyl-2,4-dihydrotetracene-1,6,11-trione

Statements

Identifiers

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