| Name |
Torreyanic acid |
| Formula |
C38H44O12 |
| Mw |
692.28327687 |
| CAS RN |
176260-42-7 |
| C_ID |
C00000504
, 
|
| InChIKey |
DQBVXDMPCDAQGS-JIBZRZDWNA-N |
| InChICode |
InChI=1S/C38H44O12/c1-5-7-9-11-21-23-24-25(28(40)32-36(49-32,29(24)41)15-13-18(3)33(42)43)30(48-21)38-20(17-47-22(26(23)38)12-10-8-6-2)27(39)31-37(50-31,35(38)46)16-14-19(4)34(44)45/h13-14,17,21-23,26,30-32H,5-12,15-16H2,1-4H3,(H,42,43)(H,44,45)/b18-13+,19-14+/t21-,22+,23-,26+,30+,31+,32+,36-,37+,38-/m1/s1 |
| SMILES |
[C@@]123[C@@H]4C5=C([C@H]([C@@H]1[C@@H](OC=C2C(=O)[C@H]1[C@@](C3=O)(O1)C/C=C(\C)/C(=O)O)CCCCC)[C@H](O4)CCCCC)C(=O)[C@@]1([C@H](C5=O)O1)C/C=C(\C)/C(=O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Fungi | Amphisphaeriaceae | Pestalotiopsis microspora | Ref. |
|
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