(Q105327543)

English

CID 6147917

group of stereoisomers with the chemical formula C₄₉H₈₅NO₁₄

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Statements

group of stereoisomers

0 references

1 reference

911.5970064 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₉H₈₅NO₁₄

0 references

canonical SMILES

O=C1OC2CC3(OC(CCC3)CC(O)CC)OC(CC4(O)OC(C)(C)CC4C=CCCCCCC(O)(C)C(O)C(OC5OC(C)C(N(C)C)CC5)C(O)C(C)C(O)C(O)(C=C1)C)C2C

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isomeric SMILES

CCC(O)CC1CCCC2(CC3OC(=O)/C=C\C(C)(O)C(O)C(C)C(O)C(OC4CCC(N(C)C)C(C)O4)C(O)C(C)(O)CCCCC/C=C\C4CC(C)(C)OC4(O)CC(O2)C3C)O1

1 reference

based on heuristic

inferred from InChI

1 reference

NK154183A and B, Antitumor Substances Produced by Streptomyces sp.

Identifiers

InChI=1S/C49H85NO14/c1-11-34(51)26-35-19-17-24-48(62-35)28-37-30(2)38(63-48)29-49(58)33(27-45(5,6)64-49)18-15-13-12-14-16-23-46(7,56)44(55)42(61-40-21-20-36(50(9)10)32(4)59-40)41(53)31(3)43(54)47(8,57)25-22-39(52)60-37/h15,18,22,25,30-38,40-44,51,53-58H,11-14,16-17,19-21,23-24,26-29H2,1-10H3/b18-15-,25-22-

0 references

XGECDDPXIKFBTE-QZUHBSBOSA-N

0 references

2 references

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

XGECDDPXIKFBTE-QZUHBSBOSA-N

UniChem compound ID

1 reference

Natural Product Atlas ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

XGECDDPXIKFBTE-QZUHBSBOSA-N

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