input word = C00055563

Metabolite InformationStructural formula
Name Biguaiascorzolide A
Formula C30H38O6
Mw 494.26683895
CAS RN 1178553-45-1
C_ID C00055563
InChIKey CKPKOKXVLHARTD-OQOZSGDTSA-N
InChICode InChI=1S/C30H38O6/c1-13-5-8-19-15(3)29(33)35-27(19)26-20(24(32)11-21(13)26)10-7-17-6-9-18-14(2)23(31)12-22-16(4)30(34)36-28(22)25(17)18/h7,15-16,18-23,25-28,31H,1-2,5-6,8-12H2,3-4H3/b17-7+/t15-,16+,18+,19-,20+,21-,22+,23-,25+,26-,27?,28+/m1/s1
SMILES C=C1CC[C@H]2C(OC(=O)[C@@H]2C)[C@H]2[C@@H]1CC(=O)[C@@H]2C/C=C1CC[C@H]2C(=C)[C@H](O)C[C@@H]3[C@H](OC(=O)[C@H]3C)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeScorzonera austriaca Ref.
zoom in