(Q104990511)

English

[(4Z,6E,8R,9R,10Z,12R,13S,14R,16S,17R)-13-hydroxy-8,14,17-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

chemical compound

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mass

560.27338086 dalton

1 reference

1 reference

1 reference

C₂₉H₄₀N₂O₉

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canonical SMILES

COC1C=CC=C(C)C(=O)NC2=CC(=O)C=C(C2=O)C(OC)C(C)CC(OC)C(O)C(C)C=C(C)C1OC(N)=O

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isomeric SMILES

CO[C@@H]1/C=C/C=C(/C)C(=O)NC2=CC(=O)C=C(C2=O)[C@H](OC)[C@@H](C)C[C@@H](OC)[C@@H](O)[C@H](C)/C=C(/C)[C@H]1OC(N)=O

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found in taxon

Streptomyces hygroscopicus

3 references

stated in

1H-nmr analysis of herbimycins and dihydro-herbimycins

stated in

The structure and cytocidal activity of herbimycin C

stated in

The structure and cytocidal activity of herbimycin C

Identifiers

InChI

InChI=1S/C29H40N2O9/c1-15-9-8-10-22(37-5)27(40-29(30)36)17(3)11-16(2)24(33)23(38-6)12-18(4)26(39-7)20-13-19(32)14-21(25(20)34)31-28(15)35/h8-11,13-14,16,18,22-24,26-27,33H,12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8+,15-9-,17-11-/t16-,18+,22-,23-,24+,26-,27-/m1/s1

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InChIKey

DWFFHRSGCPBMKD-RMHMXCCCSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DWFFHRSGCPBMKD-RMHMXCCCSA-N

ChEBI ID

222372

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C29H40N2O9/c1-15-9-8-10-22(37-5)27(40-29(30)36)17(3)11-16(2)24(33)23(38-6)12-18(4)26(39-7)20-13-19(32)14-21(25(20)34)31-28(15)35/h8-11,13-14,16,18,22-24,26-27,33H,12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8+,15-9-,17-11-/t16-,18+,22-,23-,24+,26-,27-/m1/s1

1 reference

Natural Product Atlas ID

NPA020833

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

DWFFHRSGCPBMKD-RMHMXCCCSA-N

(Q104990511)

[(4Z,6E,8R,9R,10Z,12R,13S,14R,16S,17R)-13-hydroxy-8,14,17-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate

Statements

Identifiers

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