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(Q75069048)
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English
FR209602
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic cyclopeptide
0 references
mass
1,144.52095796
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₅₀H₈₀N₈O₂₀S
0 references
canonical SMILES
CCCCCCCCCCCCCCCC(=O)NC1CC(O)C(O)NC(=O)C2C(O)C(C)CN2C(=O)C(C(O)CC(N)=O)NC(=O)C(C(O)Cc2ccc(O)c(OS(=O)(=O)O)c2)NC(=O)C2CC(O)CN2C(=O)C(CO)NC1=O
0 references
found in taxon
Coleophoma crateriformis
1 reference
stated in
FR209602 and related compounds, novel antifungal lipopeptides from Coleophoma crateriformis no.738. I. Taxonomy, fermentation, isolation and physico-chemical properties
Identifiers
InChI
InChI=1S/C50H80N8O20S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-39(66)52-30-22-36(64)46(70)56-48(72)42-43(67)27(2)24-58(42)50(74)41(35(63)23-38(51)65)55-47(71)40(34(62)19-28-17-18-33(61)37(20-28)78-79(75,76)77)54-45(69)32-21-29(60)25-57(32)49(73)31(26-59)53-44(30)68/h17-18,20,27,29-32,34-36,40-43,46,59-64,67,70H,3-16,19,21-26H2,1-2H3,(H2,51,65)(H,52,66)(H,53,68)(H,54,69)(H,55,71)(H,56,72)(H,75,76,77)
0 references
InChIKey
JXFZOXKIGUVSTD-UHFFFAOYSA-N
2 references
stated in
PubChem
PubChem CID
9855029
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
9855029
language of work or name
English
PubChem CID
9855029
2 references
stated in
PubChem
PubChem CID
9855029
language of work or name
English
matched by identifier from
InChIKey
InChIKey
JXFZOXKIGUVSTD-UHFFFAOYSA-N
ChEBI ID
200062
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C50H80N8O20S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-39(66)52-30-22-36(64)46(70)56-48(72)42-43(67)27(2)24-58(42)50(74)41(35(63)23-38(51)65)55-47(71)40(34(62)19-28-17-18-33(61)37(20-28)78-79(75,76)77)54-45(69)32-21-29(60)25-57(32)49(73)31(26-59)53-44(30)68/h17-18,20,27,29-32,34-36,40-43,46,59-64,67,70H,3-16,19,21-26H2,1-2H3,(H2,51,65)(H,52,66)(H,53,68)(H,54,69)(H,55,71)(H,56,72)(H,75,76,77)
UniChem compound ID
51950469
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA002912
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JXFZOXKIGUVSTD-UHFFFAOYSA-N
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