| Name |
aristoloin I |
| Formula |
C37H43NO8 |
| Mw |
629.29886736 |
| CAS RN |
611211-57-5 |
| C_ID |
C00055716
|
| InChIKey |
KJRNIPCHVAAIKZ-ITGUHTALSA-N |
| InChICode |
InChI=1S/C37H43NO8/c1-34(2)12-6-13-35(3)28(34)11-14-36-17-21(9-10-29(35)36)37(40,18-36)19-44-33(39)24-16-27-32(46-20-45-27)31-22-7-5-8-26(43-4)23(22)15-25(30(24)31)38(41)42/h5,7-8,15-16,21,28-29,40H,6,9-14,17-20H2,1-4H3/t21-,28-,29+,35-,36+,37+/m1/s1 |
| SMILES |
COC1=CC=CC2=C1C=C(N(=O)=O)C3=C2C4=C(OCO4)C=C3C(OC[C@@]5(O)C[C@@]6(CC[C@@]7([H])[C@@]8(C)CCCC7(C)C)[C@@]8([H])CC[C@@H]5C6)=O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Aristolochiaceae | Aristolochia elegans  | Ref. |
|
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