(Q105218139)

English

(7S,8S,13S)-3,8,13,19,26-pentahydroxy-15-methoxy-7-methyl-6-oxahexacyclo[12.12.0.02,11.04,9.016,25.018,23]hexacosa-1(14),2,4(9),10,15,18(23),19,21,25-nonaene-5,17,24-trione

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

anthracycline polyketide

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mass

504.10564684 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₂₀O₁₀

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canonical SMILES

O=C1OC(C)C(O)C2=CC3=C(C(O)=C12)C4=C(O)C=5C(=O)C=6C=CC=C(O)C6C(=O)C5C(OC)=C4C(O)C3

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isomeric SMILES

COc1c2c(c(O)c3c1[C@@H](O)Cc1cc4c(c(O)c1-3)C(=O)O[C@@H](C)[C@H]4O)C(=O)c1cccc(O)c1C2=O

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found in taxon

Streptomyces

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stated in

Benaphthamycin, a new dihydrobenzo[a]naphthacenequinone antibiotic from Streptomyces sp. HKI-0057

stated in

Benaphthamycin, a new dihydrobenzo[a]naphthacenequinone antibiotic from Streptomyces sp. HKI-0057

Identifiers

InChI

InChI=1S/C27H20O10/c1-8-21(30)11-6-9-7-13(29)17-18(14(9)23(32)16(11)27(35)37-8)25(34)19-20(26(17)36-2)24(33)15-10(22(19)31)4-3-5-12(15)28/h3-6,8,13,21,28-30,32,34H,7H2,1-2H3/t8-,13-,21+/m0/s1

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InChIKey

QCBIMYUNMRBERF-COMALLGBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QCBIMYUNMRBERF-COMALLGBSA-N

ChEBI ID

220979

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C27H20O10/c1-8-21(30)11-6-9-7-13(29)17-18(14(9)23(32)16(11)27(35)37-8)25(34)19-20(26(17)36-2)24(33)15-10(22(19)31)4-3-5-12(15)28/h3-6,8,13,21,28-30,32,34H,7H2,1-2H3/t8-,13-,21+/m0/s1

1 reference

Natural Product Atlas ID

NPA020582

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

QCBIMYUNMRBERF-COMALLGBSA-N

(Q105218139)

(7S,8S,13S)-3,8,13,19,26-pentahydroxy-15-methoxy-7-methyl-6-oxahexacyclo[12.12.0.02,11.04,9.016,25.018,23]hexacosa-1(14),2,4(9),10,15,18(23),19,21,25-nonaene-5,17,24-trione

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Identifiers

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