(Q105010988)

English

(2S)-2-[[2-Hydroxy-4-[2-hydroxy-4-(2-hydroxy-4-methoxy-6-methylbenzoyl)oxy-6-methylbenzoyl]oxy-6-methylbenzoyl]amino]-3-methylbutanoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

depside

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mass

581.189710812 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R)-2-[[2-hydroxy-4-[2-hydroxy-4-(2-hydroxy-4-methoxy-6-methylbenzoyl)oxy-6-methylbenzoyl]oxy-6-methylbenzoyl]amino]-3-methylbutanoic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₃₁NO₁₁

0 references

canonical SMILES

COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)Oc3cc(C)c(C(=O)NC(C(=O)O)C(C)C)c(O)c3)c(O)c2)c(O)c1

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isomeric SMILES

COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)Oc3cc(C)c(C(=O)N[C@H](C(=O)O)C(C)C)c(O)c3)c(O)c2)c(O)c1

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found in taxon

Humicola

1 reference

stated in

Amidepsines, Inhibitors of Diacylglycerol Acyltransferase Produced by Humicola sp. FO-2942. I. Production, Isolation and Biological Properties

Identifiers

InChI

InChI=1S/C30H31NO11/c1-13(2)26(28(36)37)31-27(35)23-14(3)8-18(11-20(23)32)41-30(39)25-16(5)9-19(12-22(25)34)42-29(38)24-15(4)7-17(40-6)10-21(24)33/h7-13,26,32-34H,1-6H3,(H,31,35)(H,36,37)/t26-/m0/s1

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InChIKey

GLJVEJVUQYULJX-SANMLTNESA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GLJVEJVUQYULJX-SANMLTNESA-N

ChEBI ID

198282

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C30H31NO11/c1-13(2)26(28(36)37)31-27(35)23-14(3)8-18(11-20(23)32)41-30(39)25-16(5)9-19(12-22(25)34)42-29(38)24-15(4)7-17(40-6)10-21(24)33/h7-13,26,32-34H,1-6H3,(H,31,35)(H,36,37)/t26-/m0/s1

(Q105010988)

(2S)-2-[[2-Hydroxy-4-[2-hydroxy-4-(2-hydroxy-4-methoxy-6-methylbenzoyl)oxy-6-methylbenzoyl]oxy-6-methylbenzoyl]amino]-3-methylbutanoic acid

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