(Q105218685)

English

(3S,17R)-3-hydroxy-9,9,16,16-tetramethyl-14-oxido-8-oxa-23,25-diaza-14-azoniaheptacyclo[17.5.2.01,17.03,15.04,13.07,12.019,23]hexacosa-4(13),5,7(12),10,14-pentaene-24,26-dione

group of stereoisomers with the chemical formula C₂₆H₂₉N₃O₅

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Statements

instance of

group of stereoisomers

0 references

subclass of

biogenic 2,5-diketopiperazine

1 reference

inferred from

biogenic 2,5-diketopiperazine

mass

463.210721028 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₂₉N₃O₅

0 references

canonical SMILES

CC1(C)C=Cc2c(ccc3c2[N+]([O-])=C2C3(O)CC34NC(=O)C5(CCCN5C3=O)CC4C2(C)C)O1

0 references

isomeric SMILES

CC1(C)C=Cc2c(ccc3c2[N+]([O-])=C2C(C)(C)[C@H]4CC56CCCN5C(=O)C4(C[C@@]23O)NC6=O)O1

0 references

found in taxon

Aspergillus taichungensis

1 reference

stated in

Isolation and Photoinduced Conversion of 6-epi-Stephacidins from Aspergillus taichungensis

Identifiers

InChI

InChI=1S/C26H29N3O5/c1-22(2)10-8-14-16(34-22)7-6-15-18(14)29(33)19-23(3,4)17-12-24-9-5-11-28(24)21(31)25(17,27-20(24)30)13-26(15,19)32/h6-8,10,17,32H,5,9,11-13H2,1-4H3,(H,27,30)/t17-,24?,25?,26+/m1/s1

0 references

InChIKey

QCZUWKYBDIHUEP-MRGNAFSRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QCZUWKYBDIHUEP-MRGNAFSRSA-N

ChEBI ID

215555

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C26H29N3O5/c1-22(2)10-8-14-16(34-22)7-6-15-18(14)29(33)19-23(3,4)17-12-24-9-5-11-28(24)21(31)25(17,27-20(24)30)13-26(15,19)32/h6-8,10,17,32H,5,9,11-13H2,1-4H3,(H,27,30)/t17-,24?,25?,26+/m1/s1

Natural Product Atlas ID

NPA015130

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

QCZUWKYBDIHUEP-MRGNAFSRSA-N

(Q105218685)

(3S,17R)-3-hydroxy-9,9,16,16-tetramethyl-14-oxido-8-oxa-23,25-diaza-14-azoniaheptacyclo[17.5.2.01,17.03,15.04,13.07,12.019,23]hexacosa-4(13),5,7(12),10,14-pentaene-24,26-dione

Statements

Identifiers

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