input word = C00031750

Metabolite InformationStructural formula
Name Dihydrocucurbitacin I
Formula C30H44O7
Mw 516.30870376
CAS RN 1110-02-7
C_ID C00031750 ,
InChIKey PIGAXYFCLPQWOD-QFATWCICNA-N
InChICode InChI=1S/C30H44O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,13,17,19-20,23,31-32,36-37H,10-12,14-15H2,1-8H3/t17-,19-,20+,23+,27+,28-,29+,30+/m1/s1
SMILES C1(=C[C@@H]2C(=CC[C@@H]3[C@]2(C(=O)C[C@]2([C@]3(C[C@H]([C@@H]2[C@@](C(=O)CCC(C)(C)O)(C)O)O)C)C)C)C(C1=O)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBegoniaceaeBegonia nantoensis Ref.
zoom in