(Q125617843)

English

(3R)-3,8-dihydroxy-9-[(2R,4S,5S,6R)-4-hydroxy-6-methyl-5-[(2S,5S,6S)-6-methyl-5-[[(2R,6S)-6-methyl-5-oxo-2H-pyran-2-yl]oxy]oxan-2-yl]oxyoxan-2-yl]-5-methoxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione

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instance of

type of chemical entity

0 references

subclass of

benzo[a]anthracene polyketide

1 reference

based on heuristic

inferred from SMILES

mass

706.2625414040001 dalton

1 reference

1 reference

C₃₈H₄₂O₁₃

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canonical SMILES

O=C1C2=CC=C(C(O)=C2C(=O)C3=CC(OC)=C4C(C(=O)CC(O)(C)C4)=C13)C5OC(C)C(OC6OC(C)C(OC7OC(C(=O)C=C7)C)CC6)C(O)C5

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isomeric SMILES

COc1cc2c(c3c1C[C@@](C)(O)CC3=O)C(=O)c1ccc([C@H]3C[C@H](O)[C@H](O[C@H]4CC[C@H](O[C@H]5C=CC(=O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)O3)c(O)c1C2=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/C38H42O13/c1-16-23(39)8-10-29(48-16)50-26-9-11-30(49-17(26)2)51-37-18(3)47-28(13-24(37)40)19-6-7-20-33(34(19)42)36(44)21-12-27(46-5)22-14-38(4,45)15-25(41)31(22)32(21)35(20)43/h6-8,10,12,16-18,24,26,28-30,37,40,42,45H,9,11,13-15H2,1-5H3/t16-,17-,18+,24-,26-,28+,29-,30-,37+,38+/m0/s1

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InChIKey

RJSDJAHVRVFSLU-NVONFCFCSA-N

0 references

2 references

26 April 2024

inferred from InChIKey

matched by identifier from

InChIKey

RJSDJAHVRVFSLU-NVONFCFCSA-N

(Q125617843)

(3R)-3,8-dihydroxy-9-[(2R,4S,5S,6R)-4-hydroxy-6-methyl-5-[(2S,5S,6S)-6-methyl-5-[[(2R,6S)-6-methyl-5-oxo-2H-pyran-2-yl]oxy]oxan-2-yl]oxyoxan-2-yl]-5-methoxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione

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Identifiers

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