input word = C00047845

Metabolite InformationStructural formula
Name Dihydroisocucurbitacin B
Formula C32H48O8
Mw 560.33491851
CAS RN 68354-21-2
C_ID C00047845 ,
InChIKey BCSNGCDMERUCFL-STYAVRHKNA-N
InChICode InChI=1S/C32H48O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,19,21-22,25-26,35,38-39H,11-16H2,1-9H3/t19-,21-,22+,25+,26-,29+,30-,31+,32+/m1/s1
SMILES C1(=O)[C@@]2([C@H]([C@]3([C@](C1)([C@H]([C@@H](C3)O)[C@](C(=O)CCC(OC(=O)C)(C)C)(O)C)C)C)CC=C1[C@H]2CC(=O)[C@H](C1(C)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeCucumis melo Ref.
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