(Q105133489)

English

(10S)-24-hydroxy-10,23-dimethoxy-9,20-dioxa-6-azaheptacyclo[15.12.0.02,14.04,12.06,10.019,28.021,26]nonacosa-1(17),2,4(12),13,15,19(28),21,23,25-nonaene-5,18,27,29-tetrone

chemical compound

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type of chemical entity

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subclass of

24-Hydroxy-10,23-dimethoxy-9,20-dioxa-6-azaheptacyclo[15.12.0.02,14.04,12.06,10.019,28.021,26]nonacosa-1(17),2,4(12),13,15,19(28),21,23,25-nonaene-5,18,27,29-tetrone

1 reference

based on heuristic

inferred from SMILES

mass

513.105981188 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₁₉NO₉

0 references

canonical SMILES

O=C1C=2OC3=CC(OC)=C(O)C=C3C(=O)C2C(=O)C=4C1=CC=C5C=C6C(=CC54)C(=O)N7CCOC7(OC)C6

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isomeric SMILES

COc1cc2oc3c(c(=O)c2cc1O)C(=O)c1c(ccc2cc4c(cc12)C(=O)N1CCO[C@@]1(OC)C4)C3=O

0 references

found in taxon

Streptomyces griseus

1 reference

stated in

New antibiotics 4181-A and B from Streptomyces griseus; Taxonomy, fermentation, isolation and characterization.

Identifiers

InChI

InChI=1S/C28H19NO9/c1-35-20-10-19-17(9-18(20)30)23(31)22-25(33)21-14(24(32)26(22)38-19)4-3-12-7-13-11-28(36-2)29(5-6-37-28)27(34)16(13)8-15(12)21/h3-4,7-10,30H,5-6,11H2,1-2H3/t28-/m0/s1

0 references

InChIKey

JQHVKHVBFDXYKS-NDEPHWFRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JQHVKHVBFDXYKS-NDEPHWFRSA-N

ChEBI ID

224815

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C28H19NO9/c1-35-20-10-19-17(9-18(20)30)23(31)22-25(33)21-14(24(32)26(22)38-19)4-3-12-7-13-11-28(36-2)29(5-6-37-28)27(34)16(13)8-15(12)21/h3-4,7-10,30H,5-6,11H2,1-2H3/t28-/m0/s1

1 reference

Natural Product Atlas ID

NPA021354

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

JQHVKHVBFDXYKS-NDEPHWFRSA-N

(Q105133489)

(10S)-24-hydroxy-10,23-dimethoxy-9,20-dioxa-6-azaheptacyclo[15.12.0.02,14.04,12.06,10.019,28.021,26]nonacosa-1(17),2,4(12),13,15,19(28),21,23,25-nonaene-5,18,27,29-tetrone

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