Mid024797: Scortechinone E
Metabolite Information
Name
Scortechinone E
IUPAC Name
NA
Molecular Formula
C29H34O7
Molecular Weight
494.2304534
Exact Mass
494.2304534
SMILES
C1(=O)[C@]2(C=C3[C@]4([C@@]1(OC([C@H]4C2)(C)C)CC=C(C)C)Oc1c(C3=O)c(cc2c1C([C@@H](O2)C)(C)C)O)OC
InChIKey
SUWIPAHXRGKUCP-OVEDYBGUNA-N
InChI
InChI=1S/C29H34O7/c1-14(2)9-10-28-24(32)27(33-8)12-16-22(31)20-17(30)11-18-21(25(4,5)15(3)34-18)23(20)35-29(16,28)19(13-27)26(6,7)36-28/h9,11-12,15,19,30H,10,13H2,1-8H3/t15-,19+,27+,28+,29-/m0/s1
Other Databases Link
knapsack_C00042971
Structure
2D Structure
3D Conformer
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Organoheterocyclic compounds
Class:
Benzopyrans
Subclass:
1-benzopyrans
Species containing this metabolite
| Pinellia ternata |
Metabolite Spectrum Accession Label