(Q105280783)

English

2-[(2S,4S,5R,6S)-4-(dimethylamino)-5-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-1,6,9-trihydroxybenzo[b]fluorene-5,10-dione

group of stereoisomers with the chemical formula C₂₈H₃₁NO₈

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

509.204966952 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₁NO₈

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canonical SMILES

O=C1C2=CC3=C(O)C(OC4OC(C)C(OC)C(N(C)C)C4)(C=CC3=C2C(=O)C=5C(O)=CC=C(O)C15)CC

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isomeric SMILES

CCC1(O[C@H]2C[C@H](N(C)C)[C@@H](OC)[C@H](C)O2)C=CC2=C3C(=O)c4c(O)ccc(O)c4C(=O)C3=CC2=C1O

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found in taxon

Micromonospora echinospora

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stated in

Isolation, structure elucidation and biosynthesis of benzo[ b ]fluorene nenestatin A from deep-sea derived Micromonospora echinospora SCSIO 04089

Identifiers

InChI

InChI=1S/C28H31NO8/c1-6-28(37-20-12-17(29(3)4)26(35-5)13(2)36-20)10-9-14-15(27(28)34)11-16-21(14)25(33)23-19(31)8-7-18(30)22(23)24(16)32/h7-11,13,17,20,26,30-31,34H,6,12H2,1-5H3/t13-,17-,20-,26-,28?/m0/s1

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InChIKey

UXGXZONKJVEYNM-SANFDALLSA-N

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1 reference

17 September 2022

inferred from InChIKey

ChEBI ID

210901

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C28H31NO8/c1-6-28(37-20-12-17(29(3)4)26(35-5)13(2)36-20)10-9-14-15(27(28)34)11-16-21(14)25(33)23-19(31)8-7-18(30)22(23)24(16)32/h7-11,13,17,20,26,30-31,34H,6,12H2,1-5H3/t13-,17-,20-,26-,28?/m0/s1

1 reference

Natural Product Atlas ID

NPA022891

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

UXGXZONKJVEYNM-SANFDALLSA-N

(Q105280783)

2-[(2S,4S,5R,6S)-4-(dimethylamino)-5-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-1,6,9-trihydroxybenzo[b]fluorene-5,10-dione

Statements

Identifiers

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