(Q27162886)

protoasukamycin (English)

9 October 2016

chemical formula

C₃₁H₃₄N₂O₅

1 reference

protoasukamycin (English)

9 October 2016

canonical SMILES

C1CCC(CC1)C=CC=CC=CC(=O)NC2=C(C=CC(=C2)C=CC=CC=CC(=O)NC3=C(CCC3=O)O)O

1 reference

protoasukamycin (English)

9 October 2016

isomeric SMILES

C1CCC(CC1)/C=C/C=C/C=C/C(=O)NC2=C(C=CC(=C2)/C=C/C=C/C=C/C(=O)NC3=C(CCC3=O)O)O

1 reference

protoasukamycin (English)

InChI=1S/C31H34N2O5/c34-26-19-18-24(15-7-2-4-11-17-30(38)33-31-27(35)20-21-28(31)36)22-25(26)32-29(37)16-10-3-1-6-12-23-13-8-5-9-14-23/h1-4,6-7,10-12,15-19,22-23,34-35H,5,8-9,13-14,20-21H2,(H,32,37)(H,33,38)/b3-1+,4-2+,12-6+,15-7+,16-10+,17-11+

9 October 2016

Identifiers

InChI

1 reference

protoasukamycin (English)

VBCLNKLOMFDNGC-JMAMMSEDSA-N

9 October 2016

InChIKey

2 references

protoasukamycin (English)

9 October 2016

stated in

ChEBI release 2020-09-01

2 references

protoasukamycin (English)

matched by identifier from

9 October 2016

InChIKey

VBCLNKLOMFDNGC-JMAMMSEDSA-N

Reaxys registry number

21442509

1 reference

protoasukamycin (English)

9 October 2016

ChEBI ID

90901

mapping relation type

2 references

protoasukamycin (English)