(Q105386495)

English

(1S,4Z,7S,8R,9R,10R,11S,17R,19E,21S,22S,24S,25S,26S)-26-benzyl-8,9,22-trihydroxy-11-methoxy-17,24-dimethyl-23-methylidene-3,13,28-trioxo-2-oxa-27-azapentacyclo[19.7.0.01,25.06,12.07,10]octacosa-4,6(12),19-triene-7-carboxamide

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

26-Benzyl-8,9,22-trihydroxy-11-methoxy-17,24-dimethyl-23-methylidene-3,13,28-trioxo-2-oxa-27-azapentacyclo[19.7.0.01,25.06,12.07,10]octacosa-4,6(12),19-triene-7-carboxamide

1 reference

based on heuristic

inferred from SMILES

mass

674.320331052 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₈H₄₆N₂O₉

0 references

canonical SMILES

C=C1C(C)C2C(Cc3ccccc3)NC(=O)C23OC(=O)C=CC2=C(C(=O)CCCC(C)CC=CC3C1O)C(OC)C1C(O)C(O)C21C(N)=O

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isomeric SMILES

C=C1[C@@H](C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C\C2=C(C(=O)CCC[C@@H](C)C/C=C/[C@H]3[C@@H]1O)[C@@H](OC)[C@H]1[C@@H](O)[C@H](O)[C@@]21C(N)=O

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found in taxon

Cirsium arvense

1 reference

stated in

Phomachalasins A–D, 26-oxa[16] and [15]cytochalasans produced by Phoma exigua var. exigua, a potential mycoherbicide for Cirsium arvense biocontrol

Boeremia exigua

1 reference

stated in

Phomachalasins A–D, 26-oxa[16] and [15]cytochalasans produced by Phoma exigua var. exigua, a potential mycoherbicide for Cirsium arvense biocontrol

Sonchus arvensis

1 reference

stated in

Nonenolides and cytochalasins with phytotoxic activity against Cirsium arvense and Sonchus arvensis: a structure-activity relationships study

Sonchus mauritanicus

1 reference

stated in

Nonenolides and cytochalasins with phytotoxic activity against Cirsium arvense and Sonchus arvensis: a structure-activity relationships study

Identifiers

InChI

InChI=1S/C38H46N2O9/c1-19-10-8-14-24-31(43)21(3)20(2)29-25(18-22-12-6-5-7-13-22)40-36(47)38(24,29)49-27(42)17-16-23-28(26(41)15-9-11-19)33(48-4)30-32(44)34(45)37(23,30)35(39)46/h5-8,12-14,16-17,19-20,24-25,29-34,43-45H,3,9-11,15,18H2,1-2,4H3,(H2,39,46)(H,40,47)/b14-8+,17-16-/t19-,20+,24-,25-,29-,30+,31+,32+,33+,34-,37+,38+/m0/s1

0 references

InChIKey

ZYWWYGXERSNBPU-GWNQSWEGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZYWWYGXERSNBPU-GWNQSWEGSA-N

(Q105386495)

(1S,4Z,7S,8R,9R,10R,11S,17R,19E,21S,22S,24S,25S,26S)-26-benzyl-8,9,22-trihydroxy-11-methoxy-17,24-dimethyl-23-methylidene-3,13,28-trioxo-2-oxa-27-azapentacyclo[19.7.0.01,25.06,12.07,10]octacosa-4,6(12),19-triene-7-carboxamide

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