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(Q77513250)
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Tumonic acid B
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
2-[2-[1-(3-Hydroxy-2,4-dimethyldodec-4-enoyl)pyrrolidine-2-carbonyl]oxy-3-methylpentanoyl]oxypropanoic acid
1 reference
based on heuristic
inferred from SMILES
mass
525.330167464
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
tumonoic acid B
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₈H₄₇NO₈
0 references
canonical SMILES
O=C(O)C(OC(=O)C(OC(=O)C1N(C(=O)C(C)C(O)C(=CCCCCCCC)C)CCC1)C(C)CC)C
0 references
isomeric SMILES
CCCCCCC/C=C(\C)C(O)[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O[C@@H](C(=O)O[C@@H](C)C(=O)O)[C@@H](C)CC
0 references
found in taxon
Lyngbya majuscula
1 reference
stated in
Tumonoic acids, novel metabolites from a cyanobacterial assemblage of Lyngbya majuscula and Schizothrix calcicola
Identifiers
InChI
InChI=1S/C28H47NO8/c1-7-9-10-11-12-13-15-19(4)23(30)20(5)25(31)29-17-14-16-22(29)27(34)37-24(18(3)8-2)28(35)36-21(6)26(32)33/h15,18,20-24,30H,7-14,16-17H2,1-6H3,(H,32,33)/b19-15+/t18-,20+,21-,22-,23?,24+/m0/s1
0 references
InChIKey
HYPDCGGBAFGHKA-WRZMLGOZSA-N
2 references
stated in
PubChem
PubChem CID
21775355
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
21775355
language of work or name
English
PubChem CID
21775355
2 references
stated in
PubChem
PubChem CID
21775355
language of work or name
English
matched by identifier from
InChIKey
InChIKey
HYPDCGGBAFGHKA-WRZMLGOZSA-N
ChEBI ID
227289
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C28H47NO8/c1-7-9-10-11-12-13-15-19(4)23(30)20(5)25(31)29-17-14-16-22(29)27(34)37-24(18(3)8-2)28(35)36-21(6)26(32)33/h15,18,20-24,30H,7-14,16-17H2,1-6H3,(H,32,33)/b19-15+/t18-,20+,21-,22-,23?,24+/m0/s1
UniChem compound ID
66102901
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA013113
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HYPDCGGBAFGHKA-WRZMLGOZSA-N
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