(Q75062196)

English

Clostomicin C

bioactive natural product

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instance of

type of chemical entity

0 references

subclass of

HRNYDBBRIZKVLO-UHFFFAOYSA-N

1 reference

based on heuristic

inferred from SMILES

mass

1,054.409570824 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₅₂H₇₂Cl₂O₁₈

0 references

canonical SMILES

O=C1OC(C(=O)C)CC=C(C=C(C)C(OC2OC(C)C(OC(=O)C(C)C)C(O)C2O)C(C=C(C)C(O)CC=CC=C1COC3OC(C)C(C(O)C(=O)C=4C(O)=C(Cl)C(O)=C(Cl)C4CC)C(O)C3OC)CC)C

0 references

isomeric SMILES

CCc1c(Cl)c(O)c(Cl)c(O)c1C(=O)C(O)C1C(C)OC(OC/C2=C/C=C\CC(O)/C(C)=C\C(CC)C(OC3OC(C)C(OC(=O)C(C)C)C(O)C3O)/C(C)=C\C(C)=C/CC(C(C)=O)OC2=O)C(OC)C1O

1 reference

based on heuristic

inferred from InChI

found in taxon

Micromonospora echinospora

1 reference

stated in

Clostomicins, new antibiotics produced by Micromonospora echinospora subsp. armeniaca subsp. nov. I. Production, isolation, and physico-chemical and biological properties

Identifiers

InChI

InChI=1S/C52H72Cl2O18/c1-12-30-21-25(6)33(56)17-15-14-16-31(22-67-52-48(66-11)42(60)35(28(9)68-52)40(58)41(59)36-32(13-2)37(53)43(61)38(54)39(36)57)50(65)70-34(27(8)55)19-18-24(5)20-26(7)46(30)72-51-45(63)44(62)47(29(10)69-51)71-49(64)23(3)4/h14-16,18,20-21,23,28-30,33-35,40,42,44-48,51-52,56-58,60-63H,12-13,17,19,22H2,1-11H3/b15-14-,24-18-,25-21-,26-20-,31-16-

0 references

InChIKey

HRNYDBBRIZKVLO-VDMRXWSJSA-N

2 references

language of work or name

English

stated in

Natural Product Atlas

PubChem CID

139583415

language of work or name

2 references

language of work or name

English

matched by identifier from

InChIKey

HRNYDBBRIZKVLO-VDMRXWSJSA-N

ChEBI ID

198554

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C52H72Cl2O18/c1-12-30-21-25(6)33(56)17-15-14-16-31(22-67-52-48(66-11)42(60)35(28(9)68-52)40(58)41(59)36-32(13-2)37(53)43(61)38(54)39(36)57)50(65)70-34(27(8)55)19-18-24(5)20-26(7)46(30)72-51-45(63)44(62)47(29(10)69-51)71-49(64)23(3)4/h14-16,18,20-21,23,28-30,33-35,40,42,44-48,51-52,56-58,60-63H,12-13,17,19,22H2,1-11H3/b15-14-,24-18-,25-21-,26-20-,31-16-

1 reference

Natural Product Atlas ID

NPA001166

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

HRNYDBBRIZKVLO-VDMRXWSJSA-N

(Q75062196)

Clostomicin C

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