(Q105126358)

English

(2S,3R)-3-hydroxy-2-[[(2R,3S)-3-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromene-6-carbonyl]amino]butanoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

(3R)-3-hydroxy-2-[[(2S,3S)-3-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromene-6-carbonyl]amino]butanoic acid

1 reference

based on heuristic

inferred from SMILES

3-Hydroxy-2-[[3-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromene-6-carbonyl]amino]butanoic acid

1 reference

based on heuristic

inferred from SMILES

mass

391.199487648 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₉NO₆

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canonical SMILES

CC(C)=CCCC1(C)Oc2ccc(C(=O)NC(C(=O)O)C(C)O)cc2CC1O

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isomeric SMILES

CC(C)=CCC[C@@]1(C)Oc2ccc(C(=O)N[C@H](C(=O)O)[C@@H](C)O)cc2C[C@@H]1O

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found in taxon

Streptomyces xiamenensis

1 reference

stated in

Identification and characterization of an anti-fibrotic benzopyran compound isolated from mangrove-derived Streptomyces xiamenensis

Identifiers

InChI

InChI=1S/C21H29NO6/c1-12(2)6-5-9-21(4)17(24)11-15-10-14(7-8-16(15)28-21)19(25)22-18(13(3)23)20(26)27/h6-8,10,13,17-18,23-24H,5,9,11H2,1-4H3,(H,22,25)(H,26,27)/t13-,17+,18+,21-/m1/s1

0 references

InChIKey

JEQRSDJVWOFRBQ-HTRFZCGXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JEQRSDJVWOFRBQ-HTRFZCGXSA-N

ChEBI ID

211361

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C21H29NO6/c1-12(2)6-5-9-21(4)17(24)11-15-10-14(7-8-16(15)28-21)19(25)22-18(13(3)23)20(26)27/h6-8,10,13,17-18,23-24H,5,9,11H2,1-4H3,(H,22,25)(H,26,27)/t13-,17+,18+,21-/m1/s1

1 reference

Natural Product Atlas ID

NPA009953

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

JEQRSDJVWOFRBQ-HTRFZCGXSA-N

(Q105126358)

(2S,3R)-3-hydroxy-2-[[(2R,3S)-3-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromene-6-carbonyl]amino]butanoic acid

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