(Q105324765)

English

(6S)-1,6,9,14-tetrahydroxy-3-[(2S)-2-hydroxypropyl]-7-methoxy-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

anthracycline polyketide

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mass

506.121296904 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₂₂O₁₀

0 references

canonical SMILES

O=C(O)C=1C(O)=C2C=3C(O)=C4C(=O)C=5C=CC=C(O)C5C(=O)C4=C(OC)C3C(O)CC2=CC1CC(O)C

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isomeric SMILES

COc1c2c(c(O)c3c1[C@@H](O)Cc1cc(C[C@H](C)O)c(C(=O)O)c(O)c1-3)C(=O)c1cccc(O)c1C2=O

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found in taxon

Streptosporangium roseum

1 reference

stated in

Biological and pharmacological properties of highly selective new endothelin converting enzyme inhibitor WS79089B isolated from Streptosporangium roseum No. 79089

Identifiers

InChI

InChI=1S/C27H22O10/c1-9(28)6-10-7-11-8-14(30)18-19(15(11)23(32)16(10)27(35)36)25(34)20-21(26(18)37-2)24(33)17-12(22(20)31)4-3-5-13(17)29/h3-5,7,9,14,28-30,32,34H,6,8H2,1-2H3,(H,35,36)/t9-,14-/m0/s1

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InChIKey

XBWMJMIOZSMYBR-XPTSAGLGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XBWMJMIOZSMYBR-XPTSAGLGSA-N

(Q105324765)

(6S)-1,6,9,14-tetrahydroxy-3-[(2S)-2-hydroxypropyl]-7-methoxy-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carboxylic acid

Statements

Identifiers

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