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(Q72481069)
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English
Harzianum A
chemical compound
(4beta)-12,13-Epoxy-trichothec-9-en-4-ol 4-[hydrogen (2Z,4E,6E)-2,4,6-octatrienedioate]
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Statements
instance of
type of chemical entity
0 references
subclass of
trichothecane sesquiterpenoid
1 reference
based on heuristic
inferred from SMILES
mass
400.18858861599995
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₃H₂₈O₆
0 references
canonical SMILES
CC1=CC2OC3CC(OC(=O)/C=C/C=C/C=C/C(=O)O)C(C)(C2(C)CC1)C31CO1
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
CC1=CC2OC3CC(OC(=O)/C=C/C=C/C=C/C(=O)O)C(C)(C2(C)CC1)C31CO1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C23H28O6/c1-15-10-11-21(2)16(12-15)28-18-13-17(22(21,3)23(18)14-27-23)29-20(26)9-7-5-4-6-8-19(24)25/h4-9,12,16-18H,10-11,13-14H2,1-3H3,(H,24,25)/b5-4+,8-6+,9-7+
0 references
InChIKey
FVRDNLIUSWSBCT-WUJFNTSISA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
156250-74-7
0 references
ChEBI ID
219910
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C23H28O6/c1-15-10-11-21(2)16(12-15)28-18-13-17(22(21,3)23(18)14-27-23)29-20(26)9-7-5-4-6-8-19(24)25/h4-9,12,16-18H,10-11,13-14H2,1-3H3,(H,24,25)/b5-4+,8-6+,9-7+
Natural Product Atlas ID
NPA015965
1 reference
matched by identifier from
InChIKey
InChIKey
FVRDNLIUSWSBCT-WUJFNTSISA-N
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