(Q125617489)

English

[(2R,3R,4R,5R)-4-hydroxy-2-[4-hydroxy-3-[[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]amino]-8-methyl-2-oxochromen-7-yl]oxy-5-methoxy-6,6-dimethyloxan-3-yl] carbamate

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

612.2319099719999 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₃₆N₂O₁₁

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canonical SMILES

O=C(OC1C(OC=2C=CC=3C(O)=C(NC(=O)C4=CC=C(O)C(=C4)CC=C(C)C)C(=O)OC3C2C)OC(C)(C)C(OC)C1O)N

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isomeric SMILES

CO[C@@H]1[C@@H](O)[C@@H](OC(N)=O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C

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found in taxon

Streptomyces

1 reference

stated in

Coumabiocins A-F, aminocoumarins from an organic extract of Streptomyces sp. L-4-4.

Identifiers

InChI

InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-25(43-30(32)39)23(36)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26+,29+/m0/s1

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InChIKey

AKKXFTZDFHPWAO-ONJQCEQUSA-N

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2 references

26 April 2024

inferred from InChIKey

matched by identifier from

InChIKey

AKKXFTZDFHPWAO-ONJQCEQUSA-N

(Q125617489)

[(2R,3R,4R,5R)-4-hydroxy-2-[4-hydroxy-3-[[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]amino]-8-methyl-2-oxochromen-7-yl]oxy-5-methoxy-6,6-dimethyloxan-3-yl] carbamate

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