(Q76386807)

English

Lyngbyatoxin C

chemical compound

In more languages

Statements

type of chemical entity

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2,6-dimethyloctane monoterpenoid

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indolactam alkaloid

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453.299142108 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₉N₃O₃

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canonical SMILES

C=CC(C)(CC=CC(C)(C)O)c1ccc2c3c(c[nH]c13)CC(CO)NC(=O)C(C(C)C)N2C

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isomeric SMILES

CC(C)[C@H]1C(=O)N[C@@H](CC2=CNC3=C(C=CC(=C23)N1C)[C@](C)(C/C=C/C(C)(C)O)C=C)CO

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Lyngbya majuscula

2 references

Lyngbyatoxins B and C, two new irritants from Lyngbya majuscula

Lyngbyatoxins B and C, two new irritants from Lyngbya majuscula

Identifiers

InChI=1S/C27H39N3O3/c1-8-27(6,13-9-12-26(4,5)33)20-10-11-21-22-18(15-28-23(20)22)14-19(16-31)29-25(32)24(17(2)3)30(21)7/h8-12,15,17,19,24,28,31,33H,1,13-14,16H2,2-7H3,(H,29,32)/b12-9+/t19-,24-,27-/m0/s1

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VMLLPMJDAXPWAA-PIKNDIPASA-N

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1 reference

matched by identifier from

VMLLPMJDAXPWAA-PIKNDIPASA-N

mapping relation type

2 references

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI=1S/C27H39N3O3/c1-8-27(6,13-9-12-26(4,5)33)20-10-11-21-22-18(15-28-23(20)22)14-19(16-31)29-25(32)24(17(2)3)30(21)7/h8-12,15,17,19,24,28,31,33H,1,13-14,16H2,2-7H3,(H,29,32)/b12-9+/t19-,24-,27-/m0/s1

UniChem compound ID

1 reference

DSSTox substance ID

DTXSID701046143

1 reference

matched by identifier from

VMLLPMJDAXPWAA-PIKNDIPASA-N

Natural Product Atlas ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

VMLLPMJDAXPWAA-PIKNDIPASA-N

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