trehalose-trans-methoxy-di-mycolate
Chemical Formula:
C184H358O17
Molecular Weight:
2842.842 Daltons
Monoisotopic Mass:
2840.7149100675 Daltons
SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(OCC1(OC(C(C(C1O)O)O)OC2(C(C(C(C(O2)COC(=O)C(CCCCCCCCCCCCCCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCC3(CC3C(C)CCCCCCCCCCCCCCCC(OC)C(C)CCCCCCCCCCCCCCCCCC))O)O)O)))=O)C(O)CCCCCCCCCCCCCCCC4(CC4C(C)CCCCCCCCCCCCCCCC(OC)C(C)CCCCCCCCCCCCCCCCCC)
InChI:
1S/C184H358O17/c1-11-15-19-23-27-31-35-39-43-47-49-51-53-55-57-59-61-65-77-89-101-113-125-137-149-165(169(185)151-139-127-115-103-91-79-69-75-87-99-111-123-135-147-163-155-167(163)159(5)143-131-119-107-95-83-73-67-81-93-105-117-129-141-153-171(195-9)161(7)145-133-121-109-97-85-71-63-45-41-37-33-29-25-21-17-13-3)181(193)197-157-173-175(187)177(189)179(191)183(199-173)201-184-180(192)178(190)176(188)174(200-184)158-198-182(194)166(150-138-126-114-102-90-78-66-62-60-58-56-54-52-50-48-44-40-36-32-28-24-20-16-12-2)170(186)152-140-128-116-104-92-80-70-76-88-100-112-124-136-148-164-156-168(164)160(6)144-132-120-108-96-84-74-68-82-94-106-118-130-142-154-172(196-10)162(8)146-134-122-110-98-86-72-64-46-42-38-34-30-26-22-18-14-4/h159-180,183-192H,11-158H2,1-10H3/t159?,160?,161?,162?,163?,164?,165?,166?,167?,168?,169-,170-,171?,172?,173-,174-,175-,176-,177+,178+,179-,180-,183-,184-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD1G-853
PubChem (CID):
90658368
Seed:
cpd26594
MetaNetX:
MNXM22164