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 O[C@@H](C1)CC[C@@]2(C)[C@@]1([H])C(OC[C@]3([H])[C@]2([H])CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)C(C)C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeApium graveolens Ref.
PlantaeFabaceaePisum sativum Ref.
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