input word = C00055380

Metabolite InformationStructural formula
Name 2-Deoxybrassinolide
Formula C28H48O5
Mw 464.35017464
CAS RN 144071-55-6
C_ID C00055380
InChIKey LLFIMDUWAVPJEJ-AVWWTISCSA-N
InChICode InChI=1S/C28H48O5/c1-15(2)16(3)24(30)25(31)17(4)20-7-8-21-19-14-33-26(32)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-25,29-31H,7-14H2,1-6H3/t16-,17-,18+,19-,20+,21-,22-,23+,24+,25+,27+,28+/m0/s1
SMILES CC(C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3COC(=O)[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeApium graveolens Ref.
PlantaeFabaceaePisum sativum Ref.
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