(Q105241811)

English

DKxanthene 530

group of stereoisomers with the chemical formula C₃₀H₃₄N₄O₅

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Statements

instance of

group of stereoisomers

0 references

1 reference

530.252920188 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₃₄N₄O₅

0 references

canonical SMILES

CC(=CC=CC=CC=CC=CC=CC=CC1N=C(C=Cc2ccc[nH]2)OC1C)C(=O)NC(CC(N)=O)C(=O)O

0 references

isomeric SMILES

C/C(=C\C=C\C=C\C=C\C=C\C=C\C=C\[C@H]1N=C(/C=C/c2ccc[nH]2)O[C@@H]1C)C(=O)NC(CC(N)=O)C(=O)O

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found in taxon

Myxococcus xanthus

1 reference

stated in

DKxanthene biosynthesis--understanding the basis for diversity-oriented synthesis in myxobacterial secondary metabolism

Identifiers

InChI

InChI=1S/C30H34N4O5/c1-22(29(36)34-26(30(37)38)21-27(31)35)15-12-10-8-6-4-3-5-7-9-11-13-17-25-23(2)39-28(33-25)19-18-24-16-14-20-32-24/h3-20,23,25-26,32H,21H2,1-2H3,(H2,31,35)(H,34,36)(H,37,38)/b4-3+,7-5+,8-6+,11-9+,12-10+,17-13+,19-18+,22-15+/t23-,25-,26?/m1/s1

0 references

InChIKey

RNSJXGZIFVKGTF-ZJJMVOHTSA-N

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1 reference

17 September 2022

inferred from InChIKey

ChEBI ID

221791

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C30H34N4O5/c1-22(29(36)34-26(30(37)38)21-27(31)35)15-12-10-8-6-4-3-5-7-9-11-13-17-25-23(2)39-28(33-25)19-18-24-16-14-20-32-24/h3-20,23,25-26,32H,21H2,1-2H3,(H2,31,35)(H,34,36)(H,37,38)/b4-3+,7-5+,8-6+,11-9+,12-10+,17-13+,19-18+,22-15+/t23-,25-,26?/m1/s1

1 reference

Natural Product Atlas ID

NPA024796

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

RNSJXGZIFVKGTF-ZJJMVOHTSA-N

(Q105241811)

DKxanthene 530

Statements

Identifiers

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