input word = C00050229

Metabolite InformationStructural formula
Name Scupontin G
(-)-Scupontin G
Formula C33H34O9
Mw 574.22028269
CAS RN 188846-92-6
C_ID C00050229 ,
InChIKey SFHVNAHCPYZUJJ-KTVLCIOINA-N
InChICode InChI=1S/C33H34O9/c1-19-14-15-24-26-23(17-33(38,42-24)22-16-25(34)39-18-22)32(3,37)28(41-30(36)21-12-8-5-9-13-21)27(31(19,26)2)40-29(35)20-10-6-4-7-11-20/h4-13,16,23-24,26-28,37-38H,1,14-15,17-18H2,2-3H3/t23-,24-,26+,27+,28+,31+,32-,33-/m1/s1
SMILES [C@H]12[C@H]3[C@](C(=C)CC1)([C@H]([C@@H]([C@]([C@@H]3C[C@](O2)(O)C1=CC(=O)OC1)(C)O)OC(=O)c1ccccc1)OC(=O)c1ccccc1)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeScutellaria pontica Ref.
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OrganismScutellaria pontica
ReferenceRodriguez,J.Nat.Prod.,60,(1997),348