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(Q77498704)
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English
SMTP-1
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
2-(4,8-dimethylnona-3,7-dienyl)-3,5-dihydroxy-8-(2-hydroxyethyl)-2-methyl-4,9-dihydro-3H-pyrano[2,3-e]isoindol-7-one
1 reference
based on heuristic
inferred from SMILES
mass
429.25152322
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₅H₃₅NO₅
0 references
canonical SMILES
O=C1C2=CC(O)=C3C(OC(C)(CCC=C(C)CCC=C(C)C)C(O)C3)=C2CN1CCO
0 references
isomeric SMILES
CC(C)=CCC/C(C)=C/CCC1(C)Oc2c(c(O)cc3c2CN(CCO)C3=O)CC1O
1 reference
based on heuristic
inferred from InChI
found in taxon
Stachybotrys microspora
1 reference
stated in
SMTP-1 and -2, novel analogs of staplabin produced by Stachybotrys microspora IFO30018
Stachybotrys microsporus
1 reference
stated in
SMTP-1 and -2, novel analogs of staplabin produced by Stachybotrys microspora IFO30018
Identifiers
InChI
InChI=1S/C25H35NO5/c1-16(2)7-5-8-17(3)9-6-10-25(4)22(29)14-19-21(28)13-18-20(23(19)31-25)15-26(11-12-27)24(18)30/h7,9,13,22,27-29H,5-6,8,10-12,14-15H2,1-4H3/b17-9+
0 references
InChIKey
XHODRTXQJFAAJR-RQZCQDPDSA-N
2 references
stated in
PubChem
PubChem CID
10574621
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
10574621
language of work or name
English
PubChem CID
10574621
2 references
stated in
PubChem
PubChem CID
10574621
language of work or name
English
matched by identifier from
InChIKey
InChIKey
XHODRTXQJFAAJR-RQZCQDPDSA-N
ChEBI ID
215841
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C25H35NO5/c1-16(2)7-5-8-17(3)9-6-10-25(4)22(29)14-19-21(28)13-18-20(23(19)31-25)15-26(11-12-27)24(18)30/h7,9,13,22,27-29H,5-6,8,10-12,14-15H2,1-4H3/b17-9+
UniChem compound ID
32999501
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA010802
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XHODRTXQJFAAJR-RQZCQDPDSA-N
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