(Q125616824)

English

(1R)-2alpha,4alpha,5,7,12-Pentahydroxy-2-propyl-6,11-dioxo-1,2,3,4,6,11-hexahydronaphthacene-1beta-carboxylic acid methyl ester

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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

442.12638228399993 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

10beta-Carbomethoxy-7,8,9,10-tetrahydro-4,6,7alpha,9alpha,11-pentahydroxy-9-propyltetracene-5,12-dione

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₃H₂₂O₉

0 references

canonical SMILES

O=C1C=2C=CC=C(O)C2C(=O)C=3C(O)=C4C(=C(O)C13)C(C(=O)OC)C(O)(CCC)CC4O

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isomeric SMILES

CCC[C@@]1(O)C[C@H](O)c2c(O)c3c(c(O)c2[C@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O

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found in taxon

Micromonospora

1 reference

stated in

Anthracyclinones from Micromonospora sp.

Identifiers

InChI

InChI=1S/C23H22O9/c1-3-7-23(31)8-11(25)13-14(17(23)22(30)32-2)21(29)15-16(20(13)28)19(27)12-9(18(15)26)5-4-6-10(12)24/h4-6,11,17,24-25,28-29,31H,3,7-8H2,1-2H3/t11-,17-,23+/m0/s1

0 references

InChIKey

RBVRMUUHLBHOCG-RLAVILMUSA-N

0 references

2 references

26 April 2024

inferred from InChIKey

matched by identifier from

InChIKey

RBVRMUUHLBHOCG-RLAVILMUSA-N

(Q125616824)

(1R)-2alpha,4alpha,5,7,12-Pentahydroxy-2-propyl-6,11-dioxo-1,2,3,4,6,11-hexahydronaphthacene-1beta-carboxylic acid methyl ester

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