(Q104909978)

English

Pyrichalasin H

group of stereoisomers with the chemical formula C₃₁H₄₁NO₆

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Statements

instance of

group of stereoisomers

0 references

subclass of

cytochalasan alkaloid

1 reference

inferred from

cytochalasan alkaloid

mass

523.2933880319999 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₄₁NO₆

0 references

canonical SMILES

C=C1C(C)C2C(Cc3ccc(OC)cc3)NC(=O)C23C(OC(C)=O)C=CC(C)(O)CC(C)CC=CC3C1O

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isomeric SMILES

C=C1C(C)C2C(Cc3ccc(OC)cc3)NC(=O)C23C(OC(C)=O)/C=C/C(C)(O)CC(C)C/C=C/C3C1O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C31H41NO6/c1-18-8-7-9-24-28(34)20(3)19(2)27-25(16-22-10-12-23(37-6)13-11-22)32-29(35)31(24,27)26(38-21(4)33)14-15-30(5,36)17-18/h7,9-15,18-19,24-28,34,36H,3,8,16-17H2,1-2,4-6H3,(H,32,35)/b9-7+,15-14+

0 references

InChIKey

AECZOENDDUTONS-PWSPGYJUSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

AECZOENDDUTONS-PWSPGYJUSA-N

ChEBI ID

220530

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C31H41NO6/c1-18-8-7-9-24-28(34)20(3)19(2)27-25(16-22-10-12-23(37-6)13-11-22)32-29(35)31(24,27)26(38-21(4)33)14-15-30(5,36)17-18/h7,9-15,18-19,24-28,34,36H,3,8,16-17H2,1-2,4-6H3,(H,32,35)/b9-7+,15-14+

1 reference

Natural Product Atlas ID

NPA028640

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

AECZOENDDUTONS-PWSPGYJUSA-N

(Q104909978)

Pyrichalasin H

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