(Q27166902)

Spectrum_000732 (English)

10 October 2016

chemical formula

C₁₆H₁₇NO₄

1 reference

Spectrum_000732 (English)

10 October 2016

canonical SMILES

C1CN2CC3=CC4=C(C=C3C5C2C1=CC(C5O)O)OCO4

1 reference

Spectrum_000732 (English)

10 October 2016

isomeric SMILES

C1CN2CC3=CC4=C(C=C3C5C2C1=C[C@@H]([C@H]5O)O)OCO4

1 reference

Spectrum_000732 (English)

InChI=1S/C16H17NO4/c18-11-3-8-1-2-17-6-9-4-12-13(21-7-20-12)5-10(9)14(15(8)17)16(11)19/h3-5,11,14-16,18-19H,1-2,6-7H2/t11-,14?,15?,16+/m0/s1

10 October 2016

Identifiers

InChI

1 reference

Spectrum_000732 (English)

XGVJWXAYKUHDOO-IWNGFBJFSA-N

10 October 2016

InChIKey

2 references

Spectrum_000732 (English)

10 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(1S,2S)-2,4,5,7,12b,12c-Hexahydro-1H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridine-1,2-diol (English)

10 October 2016

1 reference

Spectrum_000732 (English)

10 October 2016

ChEBI ID

95122

mapping relation type

1 reference